CID 2775139
107367-98-6
Structural Information
- Molecular Formula
- C12H11NO3
- SMILES
- CC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)O
- InChI
- InChI=1S/C12H11NO3/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)
- InChIKey
- XEWJNPORMBGGKZ-UHFFFAOYSA-N
- Compound name
- 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 218.08118 | 145.5 |
[M+Na]+ | 240.06312 | 154.3 |
[M-H]- | 216.06662 | 150.9 |
[M+NH4]+ | 235.10772 | 162.5 |
[M+K]+ | 256.03706 | 152.5 |
[M+H-H2O]+ | 200.07116 | 138.7 |
[M+HCOO]- | 262.07210 | 167.5 |
[M+CH3COO]- | 276.08775 | 184.4 |
[M+Na-2H]- | 238.04857 | 149.9 |
[M]+ | 217.07335 | 147.7 |
[M]- | 217.07445 | 147.7 |