CID 11275096
3-hydroxy-3-(pyridin-3-yl)propanenitrile
Structural Information
- Molecular Formula
- C8H8N2O
- SMILES
- C1=CC(=CN=C1)C(CC#N)O
- InChI
- InChI=1S/C8H8N2O/c9-4-3-8(11)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3H2
- InChIKey
- IQSUQNWWGUZNBY-UHFFFAOYSA-N
- Compound name
- 3-hydroxy-3-pyridin-3-ylpropanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 149.07094 | 130.6 |
[M+Na]+ | 171.05288 | 139.6 |
[M-H]- | 147.05638 | 131.1 |
[M+NH4]+ | 166.09748 | 147.6 |
[M+K]+ | 187.02682 | 137.0 |
[M+H-H2O]+ | 131.06092 | 117.7 |
[M+HCOO]- | 193.06186 | 148.5 |
[M+CH3COO]- | 207.07751 | 185.5 |
[M+Na-2H]- | 169.03833 | 137.2 |
[M]+ | 148.06311 | 124.5 |
[M]- | 148.06421 | 124.5 |