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

18
Patents

143.05824 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.065516 128.9
[M+Na]+ 166.047458 135.6
[M-H]- 142.050964 128.2
[M+NH4]+ 161.092063 149.2
[M+K]+ 182.021398 134.0
[M+H-H2O]+ 126.055500 123.6
[M+HCOO]- 188.056441 147.9
[M+CH3COO]- 202.072091 166.8
[M+Na-2H]- 164.032906 131.4
[M]+ 143.05769142 124.8
[M]- 143.05878858 124.8
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