CID 28495
Diboa
Structural Information
- Molecular Formula
- C8H7NO4
- SMILES
- C1=CC=C2C(=C1)N(C(=O)C(O2)O)O
- InChI
- InChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H
- InChIKey
- COVOPZQGJGUPEY-UHFFFAOYSA-N
- Compound name
- 2,4-dihydroxy-1,4-benzoxazin-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 182.04478 | 132.8 |
[M+Na]+ | 204.02672 | 142.2 |
[M-H]- | 180.03022 | 134.6 |
[M+NH4]+ | 199.07132 | 150.2 |
[M+K]+ | 220.00066 | 140.8 |
[M+H-H2O]+ | 164.03476 | 126.9 |
[M+HCOO]- | 226.03570 | 150.5 |
[M+CH3COO]- | 240.05135 | 175.1 |
[M+Na-2H]- | 202.01217 | 140.8 |
[M]+ | 181.03695 | 132.1 |
[M]- | 181.03805 | 132.1 |