CID 11128397
2-oxo-2-(3,4,5-trimethoxyphenyl)acetic acid
Structural Information
- Molecular Formula
- C11H12O6
- SMILES
- COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)O
- InChI
- InChI=1S/C11H12O6/c1-15-7-4-6(9(12)11(13)14)5-8(16-2)10(7)17-3/h4-5H,1-3H3,(H,13,14)
- InChIKey
- LADJHQSUVNTXES-UHFFFAOYSA-N
- Compound name
- 2-oxo-2-(3,4,5-trimethoxyphenyl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 241.07067 | 146.5 |
[M+Na]+ | 263.05261 | 155.0 |
[M-H]- | 239.05611 | 149.6 |
[M+NH4]+ | 258.09721 | 163.7 |
[M+K]+ | 279.02655 | 155.0 |
[M+H-H2O]+ | 223.06065 | 140.6 |
[M+HCOO]- | 285.06159 | 168.6 |
[M+CH3COO]- | 299.07724 | 190.9 |
[M+Na-2H]- | 261.03806 | 149.0 |
[M]+ | 240.06284 | 152.6 |
[M]- | 240.06394 | 152.6 |