CID 11665557
3,3-dimethyl-2-phenylbutanoic acid
Structural Information
- Molecular Formula
- C12H16O2
- SMILES
- CC(C)(C)C(C1=CC=CC=C1)C(=O)O
- InChI
- InChI=1S/C12H16O2/c1-12(2,3)10(11(13)14)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,13,14)
- InChIKey
- DAOGRNTZCLFPNH-UHFFFAOYSA-N
- Compound name
- 3,3-dimethyl-2-phenylbutanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 193.12232 | 143.3 |
[M+Na]+ | 215.10426 | 149.3 |
[M-H]- | 191.10776 | 145.5 |
[M+NH4]+ | 210.14886 | 162.1 |
[M+K]+ | 231.07820 | 147.6 |
[M+H-H2O]+ | 175.11230 | 138.2 |
[M+HCOO]- | 237.11324 | 162.5 |
[M+CH3COO]- | 251.12889 | 182.2 |
[M+Na-2H]- | 213.08971 | 147.7 |
[M]+ | 192.11449 | 142.8 |
[M]- | 192.11559 | 142.8 |