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

compound 2d structure
4
Annotation Hits

0
References

0
Patents

186.06406 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.