CID 164355
Benzenepropanenitrile, 4-ethyl-alpha,alpha-dimethyl-
Structural Information
- Molecular Formula
- C13H17N
- SMILES
- CCC1=CC=C(C=C1)CC(C)(C)C#N
- InChI
- InChI=1S/C13H17N/c1-4-11-5-7-12(8-6-11)9-13(2,3)10-14/h5-8H,4,9H2,1-3H3
- InChIKey
- NWMCCMGWYCKNJR-UHFFFAOYSA-N
- Compound name
- 3-(4-ethylphenyl)-2,2-dimethylpropanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 188.14338 | 146.3 |
[M+Na]+ | 210.12532 | 155.7 |
[M-H]- | 186.12882 | 149.6 |
[M+NH4]+ | 205.16992 | 164.5 |
[M+K]+ | 226.09926 | 152.1 |
[M+H-H2O]+ | 170.13336 | 134.4 |
[M+HCOO]- | 232.13430 | 164.7 |
[M+CH3COO]- | 246.14995 | 198.0 |
[M+Na-2H]- | 208.11077 | 151.7 |
[M]+ | 187.13555 | 142.4 |
[M]- | 187.13665 | 142.4 |
Literature stripe
No literature data available for this compound.