CID 12104
M-tolunitrile
Structural Information
- Molecular Formula
- C8H7N
- SMILES
- CC1=CC(=CC=C1)C#N
- InChI
- InChI=1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3
- InChIKey
- BOHCMQZJWOGWTA-UHFFFAOYSA-N
- Compound name
- 3-methylbenzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 118.06512 | 123.9 |
[M+Na]+ | 140.04706 | 137.4 |
[M+NH4]+ | 135.09167 | 130.3 |
[M+K]+ | 156.02100 | 127.3 |
[M-H]- | 116.05057 | 119.8 |
[M+Na-2H]- | 138.03251 | 129.8 |
[M]+ | 117.05730 | 123.9 |
[M]- | 117.05839 | 123.9 |