CID 3050573
6-(isopropylaminomethyl)comenic acid hydrate
Structural Information
- Molecular Formula
- C10H13NO5
- SMILES
- CC(C)NCC1=C(C(=O)C=C(O1)C(=O)O)O
- InChI
- InChI=1S/C10H13NO5/c1-5(2)11-4-8-9(13)6(12)3-7(16-8)10(14)15/h3,5,11,13H,4H2,1-2H3,(H,14,15)
- InChIKey
- JHJLZXABOGNEFF-UHFFFAOYSA-N
- Compound name
- 5-hydroxy-4-oxo-6-[(propan-2-ylamino)methyl]pyran-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 228.08666 | 147.1 |
[M+Na]+ | 250.06860 | 154.8 |
[M-H]- | 226.07210 | 149.5 |
[M+NH4]+ | 245.11320 | 162.5 |
[M+K]+ | 266.04254 | 154.3 |
[M+H-H2O]+ | 210.07664 | 141.0 |
[M+HCOO]- | 272.07758 | 167.8 |
[M+CH3COO]- | 286.09323 | 188.8 |
[M+Na-2H]- | 248.05405 | 150.4 |
[M]+ | 227.07883 | 149.2 |
[M]- | 227.07993 | 149.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.