CID 79015754
1267529-93-0
Structural Information
- Molecular Formula
- C11H9NO2S
- SMILES
- C1=CC(=CC=C1CC2=NC=CS2)C(=O)O
- InChI
- InChI=1S/C11H9NO2S/c13-11(14)9-3-1-8(2-4-9)7-10-12-5-6-15-10/h1-6H,7H2,(H,13,14)
- InChIKey
- YSGFKOQTPNKCKZ-UHFFFAOYSA-N
- Compound name
- 4-(1,3-thiazol-2-ylmethyl)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 220.04268 | 146.0 |
[M+Na]+ | 242.02462 | 154.9 |
[M-H]- | 218.02812 | 150.9 |
[M+NH4]+ | 237.06922 | 164.7 |
[M+K]+ | 257.99856 | 151.0 |
[M+H-H2O]+ | 202.03266 | 139.5 |
[M+HCOO]- | 264.03360 | 164.1 |
[M+CH3COO]- | 278.04925 | 181.9 |
[M+Na-2H]- | 240.01007 | 147.7 |
[M]+ | 219.03485 | 147.8 |
[M]- | 219.03595 | 147.8 |
Literature stripe
No literature data available for this compound.