CID 1059

22573-88-2

Structural Information

Molecular Formula
C5H7NO3
SMILES
C1C(C=NC1C(=O)O)O
InChI
InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h2-4,7H,1H2,(H,8,9)
InChIKey
WFOFKRKDDKGRIK-UHFFFAOYSA-N
Compound name
4-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

22
Patents

129.04259 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 123.3
[M+Na]+ 152.03181 131.2
[M-H]- 128.03531 123.2
[M+NH4]+ 147.07641 144.4
[M+K]+ 168.00575 130.3
[M+H-H2O]+ 112.03985 118.1
[M+HCOO]- 174.04079 144.0
[M+CH3COO]- 188.05644 164.2
[M+Na-2H]- 150.01726 127.4
[M]+ 129.04204 121.1
[M]- 129.04314 121.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.