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
4
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 127.4
[M+Na]+ 166.04746 134.9
[M-H]- 142.05096 128.4
[M+NH4]+ 161.09206 148.8
[M+K]+ 182.02140 133.3
[M+H-H2O]+ 126.05550 122.8
[M+HCOO]- 188.05644 149.3
[M+CH3COO]- 202.07209 170.3
[M+Na-2H]- 164.03291 129.6
[M]+ 143.05769 123.6
[M]- 143.05879 123.6
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.