CID 81744
2-hydroxy-5-methylisophthalaldehyde
Structural Information
- Molecular Formula
- C9H8O3
- SMILES
- CC1=CC(=C(C(=C1)C=O)O)C=O
- InChI
- InChI=1S/C9H8O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-5,12H,1H3
- InChIKey
- ZBOUXALQDLLARY-UHFFFAOYSA-N
- Compound name
- 2-hydroxy-5-methylbenzene-1,3-dicarbaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 165.05463 | 128.9 |
[M+Na]+ | 187.03657 | 139.3 |
[M-H]- | 163.04007 | 132.4 |
[M+NH4]+ | 182.08117 | 149.7 |
[M+K]+ | 203.01051 | 137.0 |
[M+H-H2O]+ | 147.04461 | 124.1 |
[M+HCOO]- | 209.04555 | 153.2 |
[M+CH3COO]- | 223.06120 | 176.5 |
[M+Na-2H]- | 185.02202 | 134.8 |
[M]+ | 164.04680 | 131.2 |
[M]- | 164.04790 | 131.2 |