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]+ 144.065516 127.4
[M+Na]+ 166.047458 134.9
[M-H]- 142.050964 128.4
[M+NH4]+ 161.092063 148.8
[M+K]+ 182.021398 133.3
[M+H-H2O]+ 126.055500 122.8
[M+HCOO]- 188.056441 149.3
[M+CH3COO]- 202.072091 170.3
[M+Na-2H]- 164.032906 129.6
[M]+ 143.05769142 123.6
[M]- 143.05878858 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.