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
3
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 138.9
[M+Na]+ 209.05328 144.4
[M+NH4]+ 204.09788 143.9
[M+K]+ 225.02722 144.9
[M-H]- 185.05678 137.4
[M+Na-2H]- 207.03873 139.6
[M]+ 186.06351 138.4
[M]- 186.06461 138.4
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.