CID 138465
4-oxo-4-phenylbutanenitrile
Structural Information
- Molecular Formula
- C10H9NO
- SMILES
- C1=CC=C(C=C1)C(=O)CCC#N
- InChI
- InChI=1S/C10H9NO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7H2
- InChIKey
- OSPRTYTUQJCKFF-UHFFFAOYSA-N
- Compound name
- 4-oxo-4-phenylbutanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 160.07570 | 136.2 |
[M+Na]+ | 182.05764 | 148.3 |
[M+NH4]+ | 177.10224 | 141.4 |
[M+K]+ | 198.03158 | 138.5 |
[M-H]- | 158.06114 | 131.0 |
[M+Na-2H]- | 180.04309 | 140.8 |
[M]+ | 159.06787 | 135.6 |
[M]- | 159.06897 | 135.6 |