CID 10773246
4-propanoylbenzonitrile
Structural Information
- Molecular Formula
- C10H9NO
- SMILES
- CCC(=O)C1=CC=C(C=C1)C#N
- InChI
- InChI=1S/C10H9NO/c1-2-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3
- InChIKey
- ICQBABYHFYWPRD-UHFFFAOYSA-N
- Compound name
- 4-propanoylbenzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 160.07570 | 134.8 |
[M+Na]+ | 182.05764 | 147.2 |
[M+NH4]+ | 177.10224 | 140.0 |
[M+K]+ | 198.03158 | 137.7 |
[M-H]- | 158.06114 | 129.7 |
[M+Na-2H]- | 180.04309 | 139.3 |
[M]+ | 159.06787 | 134.3 |
[M]- | 159.06897 | 134.3 |