Molecular properties
- Formula
- C5H9N
- Molar mass
- 83.13 g·mol−1
- Exact mass
- 83.0735 Da
- 2
- PubChem CID
- 29339
Molecule record
2-methylbutanenitrile
C5H9N
83.13 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- .alpha.-Methylbutyronitrile
- 18936-17-9
- 2-Cyanobutane
- 2-Methylbutanone cyanohydrin
- 2-Methylbutyronitrile
- 2-methylbutylnitrile
- 242-687-1
- Butanenitrile, 2-methyl-
Show all 24 synonyms
- Butyronitrile, 2-methyl-
- CHEBI:61669
- DTXCID30818958
- DTXSID50871287
- EC 242-687-1
- EINECS 242-687-1
- MFCD00001877
- NSC-165615
- R5Y900M14U
- RefChem:88284
- SCHEMBL126145
- SCHEMBL26868
- alpha-Methylbutyronitrile
- s-butyl cyanide
- sec-Butyl Cyanide
- starbld0016720
Structure identifiers
- Canonical SMILES
- CCC(C)C#N
- Isomeric SMILES
- CCC(C)C#N
- InChI
- InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3
- InChIKey
- RCEJCSULJQNRQQ-UHFFFAOYSA-N
- PubChem CID
- 29339
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 2-methylbutanenitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-methylbutanenitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.