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Molecule record

2-methylpentanenitrile

C6H11N

97.16 g/mol

Loading structure

Molecular properties

Formula
C6H11N
Molar mass
97.16 g·mol−1
Exact mass
97.0891 Da
2
PubChem CID
236146

Functional groups

Alkane / alkyl carbon
Nitrile

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 6339-13-5
  • 871-608-9
  • 876295-65-7
  • AKOS009460499
  • CS-0251151
  • DTXSID50284671
  • DTXSID901350518
  • EN300-53774
Show all 23 synonyms
  • G45047
  • NSC-38217
  • NSC38217
  • Pentanenitrile, 2-methyl-
  • Pentanenitrile, methyl-
  • RefChem:476151
  • SCHEMBL2425724
  • SCHEMBL2534431
  • SCHEMBL388090
  • SCHEMBL533334
  • SCHEMBL5495572
  • SCHEMBL7982862
  • SCHEMBL8011377
  • Z415654768
  • methylvaleronitrile

Structure identifiers

Canonical SMILES
CCCC(C)C#N
Isomeric SMILES
CCCC(C)C#N
InChI
InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3
InChIKey
FHBWGXDQIOWTCK-UHFFFAOYSA-N
PubChem CID
236146

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 2-methylpentanenitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-methylpentanenitrile; not experimental data.

Sources

Molecule identity

Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record