CID 22265529
446864-46-6
Structural Information
- Molecular Formula
- C9H7NO2
- SMILES
- CC1=NC2=C(C=CC=C2O1)C=O
- InChI
- InChI=1S/C9H7NO2/c1-6-10-9-7(5-11)3-2-4-8(9)12-6/h2-5H,1H3
- InChIKey
- GGURWNPQQILNHC-UHFFFAOYSA-N
- Compound name
- 2-methyl-1,3-benzoxazole-4-carbaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 162.05496 | 127.6 |
[M+Na]+ | 184.03690 | 139.7 |
[M-H]- | 160.04040 | 132.7 |
[M+NH4]+ | 179.08150 | 149.3 |
[M+K]+ | 200.01084 | 138.3 |
[M+H-H2O]+ | 144.04494 | 122.0 |
[M+HCOO]- | 206.04588 | 152.8 |
[M+CH3COO]- | 220.06153 | 176.5 |
[M+Na-2H]- | 182.02235 | 136.9 |
[M]+ | 161.04713 | 132.6 |
[M]- | 161.04823 | 132.6 |
Literature stripe
No literature data available for this compound.