CID 139598077
Lenacil polar metabolite 2
Structural Information
- Molecular Formula
- C7H10N2O4
- SMILES
- C1CC(=C(C1O)C(=O)O)NC(=O)N
- InChI
- InChI=1S/C7H10N2O4/c8-7(13)9-3-1-2-4(10)5(3)6(11)12/h4,10H,1-2H2,(H,11,12)(H3,8,9,13)
- InChIKey
- YRLMVZJKMCTWIK-UHFFFAOYSA-N
- Compound name
- 2-(carbamoylamino)-5-hydroxycyclopentene-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 187.07134 | 137.3 |
[M+Na]+ | 209.05328 | 143.3 |
[M-H]- | 185.05678 | 138.1 |
[M+NH4]+ | 204.09788 | 156.4 |
[M+K]+ | 225.02722 | 142.0 |
[M+H-H2O]+ | 169.06132 | 131.8 |
[M+HCOO]- | 231.06226 | 159.2 |
[M+CH3COO]- | 245.07791 | 180.4 |
[M+Na-2H]- | 207.03873 | 138.2 |
[M]+ | 186.06351 | 133.0 |
[M]- | 186.06461 | 133.0 |
Literature stripe
Patent stripe
No patent data available for this compound.