CID 86235088
882500-52-9
Structural Information
- Molecular Formula
- C12H14O4
- SMILES
- CC(C)(C)C1=CC(=CC(=C1O)C=O)C(=O)O
- InChI
- InChI=1S/C12H14O4/c1-12(2,3)9-5-7(11(15)16)4-8(6-13)10(9)14/h4-6,14H,1-3H3,(H,15,16)
- InChIKey
- RCYOYAJXIRTEDK-UHFFFAOYSA-N
- Compound name
- 3-tert-butyl-5-formyl-4-hydroxybenzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 223.09648 | 146.4 |
[M+Na]+ | 245.07842 | 155.1 |
[M-H]- | 221.08192 | 148.2 |
[M+NH4]+ | 240.12302 | 164.1 |
[M+K]+ | 261.05236 | 152.8 |
[M+H-H2O]+ | 205.08646 | 141.8 |
[M+HCOO]- | 267.08740 | 165.7 |
[M+CH3COO]- | 281.10305 | 185.8 |
[M+Na-2H]- | 243.06387 | 149.8 |
[M]+ | 222.08865 | 148.1 |
[M]- | 222.08975 | 148.1 |
Literature stripe
No literature data available for this compound.