CID 70817
1-phenylcyclohexane-1-carboxylic acid
Structural Information
- Molecular Formula
- C13H16O2
- SMILES
- C1CCC(CC1)(C2=CC=CC=C2)C(=O)O
- InChI
- InChI=1S/C13H16O2/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,15)
- InChIKey
- QXXHHHWXFHPNOS-UHFFFAOYSA-N
- Compound name
- 1-phenylcyclohexane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 205.12232 | 146.9 |
[M+Na]+ | 227.10426 | 151.4 |
[M-H]- | 203.10776 | 151.5 |
[M+NH4]+ | 222.14886 | 166.4 |
[M+K]+ | 243.07820 | 148.7 |
[M+H-H2O]+ | 187.11230 | 140.6 |
[M+HCOO]- | 249.11324 | 165.5 |
[M+CH3COO]- | 263.12889 | 181.1 |
[M+Na-2H]- | 225.08971 | 151.8 |
[M]+ | 204.11449 | 141.3 |
[M]- | 204.11559 | 141.3 |