CID 107541

4-oxo-l-proline zwitterion

Structural Information

Molecular Formula
C5H7NO3
SMILES
C1[C@H](NCC1=O)C(=O)O
InChI
InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h4,6H,1-2H2,(H,8,9)/t4-/m0/s1
InChIKey
HFXAFXVXPMUQCQ-BYPYZUCNSA-N
Compound name
(2S)-4-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

1146
Patents

129.04259 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 124.3
[M+Na]+ 152.03181 131.5
[M-H]- 128.03531 123.8
[M+NH4]+ 147.07641 145.1
[M+K]+ 168.00575 130.1
[M+H-H2O]+ 112.03985 119.2
[M+HCOO]- 174.04079 143.6
[M+CH3COO]- 188.05644 163.8
[M+Na-2H]- 150.01726 127.4
[M]+ 129.04204 119.9
[M]- 129.04314 119.9
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.