CID 5463088
2-propenenitrile, 3-(4-methylphenyl)-
Structural Information
- Molecular Formula
- C10H9N
- SMILES
- CC1=CC=C(C=C1)/C=C/C#N
- InChI
- InChI=1S/C10H9N/c1-9-4-6-10(7-5-9)3-2-8-11/h2-7H,1H3/b3-2+
- InChIKey
- WHECQDVQLPVCRX-NSCUHMNNSA-N
- Compound name
- (E)-3-(4-methylphenyl)prop-2-enenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 144.08078 | 131.0 |
[M+Na]+ | 166.06272 | 141.5 |
[M-H]- | 142.06622 | 134.5 |
[M+NH4]+ | 161.10732 | 150.7 |
[M+K]+ | 182.03666 | 137.6 |
[M+H-H2O]+ | 126.07076 | 119.2 |
[M+HCOO]- | 188.07170 | 151.8 |
[M+CH3COO]- | 202.08735 | 188.1 |
[M+Na-2H]- | 164.04817 | 137.6 |
[M]+ | 143.07295 | 125.9 |
[M]- | 143.07405 | 125.9 |