CID 4672598
3-(cyanomethyl)picolinonitrile
Structural Information
- Molecular Formula
- C8H5N3
- SMILES
- C1=CC(=C(N=C1)C#N)CC#N
- InChI
- InChI=1S/C8H5N3/c9-4-3-7-2-1-5-11-8(7)6-10/h1-2,5H,3H2
- InChIKey
- OAZZLWZPBSJOKZ-UHFFFAOYSA-N
- Compound name
- 3-(cyanomethyl)pyridine-2-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 144.05562 | 159.7 |
[M+Na]+ | 166.03756 | 169.1 |
[M+NH4]+ | 161.08216 | 160.7 |
[M+K]+ | 182.01150 | 158.3 |
[M-H]- | 142.04106 | 149.9 |
[M+Na-2H]- | 164.02301 | 160.0 |
[M]+ | 143.04779 | 157.0 |
[M]- | 143.04889 | 157.0 |