CID 139597901

Lenacil polar metabolite 3

Structural Information

Molecular Formula
C6H9NO3
SMILES
C1CC(=C(C1O)C(=O)O)N
InChI
InChI=1S/C6H9NO3/c7-3-1-2-4(8)5(3)6(9)10/h4,8H,1-2,7H2,(H,9,10)
InChIKey
XTUXDYIXDUQOLL-UHFFFAOYSA-N
Compound name
2-amino-5-hydroxycyclopentene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

143.05824 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 128.0
[M+Na]+ 166.04746 135.8
[M+NH4]+ 161.09206 134.7
[M+K]+ 182.02140 134.9
[M-H]- 142.05096 127.3
[M+Na-2H]- 164.03291 130.3
[M]+ 143.05769 128.3
[M]- 143.05879 128.3
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.