CID 23004148
106429-59-8
Structural Information
- Molecular Formula
- C8H6N2O2
- SMILES
- C1=CC2=C(C=C1C=O)NC(=O)N2
- InChI
- InChI=1S/C8H6N2O2/c11-4-5-1-2-6-7(3-5)10-8(12)9-6/h1-4H,(H2,9,10,12)
- InChIKey
- JHQJXBRTXLUDIM-UHFFFAOYSA-N
- Compound name
- 2-oxo-1,3-dihydrobenzimidazole-5-carbaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 163.05020 | 128.7 |
[M+Na]+ | 185.03214 | 140.5 |
[M-H]- | 161.03564 | 129.1 |
[M+NH4]+ | 180.07674 | 148.7 |
[M+K]+ | 201.00608 | 135.8 |
[M+H-H2O]+ | 145.04018 | 122.7 |
[M+HCOO]- | 207.04112 | 150.9 |
[M+CH3COO]- | 221.05677 | 142.8 |
[M+Na-2H]- | 183.01759 | 136.7 |
[M]+ | 162.04237 | 128.9 |
[M]- | 162.04347 | 128.9 |
Literature stripe
No literature data available for this compound.