CID 11816391
Propanoic acid, 2-methyl-3-(phenylmethoxy)-, (r)-
Structural Information
- Molecular Formula
- C11H14O3
- SMILES
- C[C@H](COCC1=CC=CC=C1)C(=O)O
- InChI
- InChI=1S/C11H14O3/c1-9(11(12)13)7-14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)/t9-/m1/s1
- InChIKey
- PRXXYKBFWWHJGR-SECBINFHSA-N
- Compound name
- (2R)-2-methyl-3-phenylmethoxypropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 195.10158 | 142.7 |
[M+Na]+ | 217.08352 | 148.5 |
[M-H]- | 193.08702 | 144.6 |
[M+NH4]+ | 212.12812 | 161.1 |
[M+K]+ | 233.05746 | 147.1 |
[M+H-H2O]+ | 177.09156 | 136.7 |
[M+HCOO]- | 239.09250 | 164.0 |
[M+CH3COO]- | 253.10815 | 181.6 |
[M+Na-2H]- | 215.06897 | 146.8 |
[M]+ | 194.09375 | 143.8 |
[M]- | 194.09485 | 143.8 |