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Molecule record

2-methylundecanenitrile

C12H23N

181.32 g/mol

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Molecular properties

Formula
C12H23N
Molar mass
181.32 g·mol−1
Exact mass
181.1830 Da
2
PubChem CID
117172

Functional groups

Alkane / alkyl carbon
Nitrile

Physical properties

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

Common names and synonyms

  • 13887-79-1
  • 2-Methylundecanonitrile
  • AOBQKRPEXFNDAP-UHFFFAOYSA-N
  • DTXSID30930240
  • EINECS 237-654-3
  • NS00051981
  • P6R6GWL7VR
  • SCHEMBL22207078
Show all 11 synonyms
  • SCHEMBL5495724
  • SCHEMBL5495726
  • Undecanenitrile, 2-methyl-

Structure identifiers

Canonical SMILES
CCCCCCCCCC(C)C#N
Isomeric SMILES
CCCCCCCCCC(C)C#N
InChI
InChI=1S/C12H23N/c1-3-4-5-6-7-8-9-10-12(2)11-13/h12H,3-10H2,1-2H3
InChIKey
AOBQKRPEXFNDAP-UHFFFAOYSA-N
PubChem CID
117172

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-methylundecanenitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-methylundecanenitrile; 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
2-methylundecanenitrile - Formula, Structure | ChemArche