CID 2778009
328288-90-0
Structural Information
- Molecular Formula
- C11H14O3
- SMILES
- CCC(CC1=CC(=CC=C1)O)C(=O)O
- InChI
- InChI=1S/C11H14O3/c1-2-9(11(13)14)6-8-4-3-5-10(12)7-8/h3-5,7,9,12H,2,6H2,1H3,(H,13,14)
- InChIKey
- APDIHWXZDGCAGL-UHFFFAOYSA-N
- Compound name
- 2-[(3-hydroxyphenyl)methyl]butanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 195.10158 | 142.6 |
[M+Na]+ | 217.08352 | 148.8 |
[M-H]- | 193.08702 | 143.5 |
[M+NH4]+ | 212.12812 | 160.6 |
[M+K]+ | 233.05746 | 146.6 |
[M+H-H2O]+ | 177.09156 | 137.1 |
[M+HCOO]- | 239.09250 | 162.3 |
[M+CH3COO]- | 253.10815 | 180.2 |
[M+Na-2H]- | 215.06897 | 145.5 |
[M]+ | 194.09375 | 142.2 |
[M]- | 194.09485 | 142.2 |