CID 84765
15029-30-8
Structural Information
- Molecular Formula
- C8H12N2O
- SMILES
- C1CCN(CC1)C(=O)CC#N
- InChI
- InChI=1S/C8H12N2O/c9-5-4-8(11)10-6-2-1-3-7-10/h1-4,6-7H2
- InChIKey
- ANLQHFYDQPMDJY-UHFFFAOYSA-N
- Compound name
- 3-oxo-3-piperidin-1-ylpropanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 153.10224 | 137.0 |
[M+Na]+ | 175.08418 | 146.8 |
[M+NH4]+ | 170.12878 | 141.5 |
[M+K]+ | 191.05812 | 138.1 |
[M-H]- | 151.08768 | 130.6 |
[M+Na-2H]- | 173.06963 | 139.2 |
[M]+ | 152.09441 | 135.5 |
[M]- | 152.09551 | 135.5 |