CID 109465
Gamma-methylbenzenehexanenitrile
Structural Information
- Molecular Formula
- C13H17N
- SMILES
- CC(CCC#N)CCC1=CC=CC=C1
- InChI
- InChI=1S/C13H17N/c1-12(6-5-11-14)9-10-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-10H2,1H3
- InChIKey
- MJQFJAHXUKARCW-UHFFFAOYSA-N
- Compound name
- 4-methyl-6-phenylhexanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 188.14338 | 144.8 |
[M+Na]+ | 210.12532 | 152.8 |
[M-H]- | 186.12882 | 147.4 |
[M+NH4]+ | 205.16992 | 162.5 |
[M+K]+ | 226.09926 | 149.0 |
[M+H-H2O]+ | 170.13336 | 132.2 |
[M+HCOO]- | 232.13430 | 163.7 |
[M+CH3COO]- | 246.14995 | 197.4 |
[M+Na-2H]- | 208.11077 | 149.4 |
[M]+ | 187.13555 | 140.5 |
[M]- | 187.13665 | 140.5 |
Literature stripe
No literature data available for this compound.