CID 11147865
4-(3-oxopropyl)benzonitrile
Structural Information
- Molecular Formula
- C10H9NO
- SMILES
- C1=CC(=CC=C1CCC=O)C#N
- InChI
- InChI=1S/C10H9NO/c11-8-10-5-3-9(4-6-10)2-1-7-12/h3-7H,1-2H2
- InChIKey
- YOVRYTDTOZKFJP-UHFFFAOYSA-N
- Compound name
- 4-(3-oxopropyl)benzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 160.07570 | 134.9 |
[M+Na]+ | 182.05764 | 147.7 |
[M+NH4]+ | 177.10224 | 140.2 |
[M+K]+ | 198.03158 | 137.4 |
[M-H]- | 158.06114 | 130.0 |
[M+Na-2H]- | 180.04309 | 139.7 |
[M]+ | 159.06787 | 134.5 |
[M]- | 159.06897 | 134.5 |