CID 21806862

2-(2-oxopyrrolidin-3-yl)acetic acid

Structural Information

Molecular Formula
C6H9NO3
SMILES
C1CNC(=O)C1CC(=O)O
InChI
InChI=1S/C6H9NO3/c8-5(9)3-4-1-2-7-6(4)10/h4H,1-3H2,(H,7,10)(H,8,9)
InChIKey
JLIUKLMVAQJSDZ-UHFFFAOYSA-N
Compound name
2-(2-oxopyrrolidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

143.05824 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 130.0
[M+Na]+ 166.04746 138.0
[M+NH4]+ 161.09206 136.2
[M+K]+ 182.02140 136.5
[M-H]- 142.05096 128.0
[M+Na-2H]- 164.03291 131.8
[M]+ 143.05769 129.9
[M]- 143.05879 129.9
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

patents stripe