CID 53843921
2-phenylspiro[3.3]heptane-2-carboxylic acid
Structural Information
- Molecular Formula
- C14H16O2
- SMILES
- C1CC2(C1)CC(C2)(C3=CC=CC=C3)C(=O)O
- InChI
- InChI=1S/C14H16O2/c15-12(16)14(11-5-2-1-3-6-11)9-13(10-14)7-4-8-13/h1-3,5-6H,4,7-10H2,(H,15,16)
- InChIKey
- GLAOKQHKICBDBX-UHFFFAOYSA-N
- Compound name
- 2-phenylspiro[3.3]heptane-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 217.12232 | 144.5 |
[M+Na]+ | 239.10426 | 148.7 |
[M-H]- | 215.10776 | 151.4 |
[M+NH4]+ | 234.14886 | 152.8 |
[M+K]+ | 255.07820 | 151.3 |
[M+H-H2O]+ | 199.11230 | 131.2 |
[M+HCOO]- | 261.11324 | 161.1 |
[M+CH3COO]- | 275.12889 | 196.0 |
[M+Na-2H]- | 237.08971 | 149.8 |
[M]+ | 216.11449 | 158.1 |
[M]- | 216.11559 | 158.1 |
Literature stripe
No literature data available for this compound.