CID 25098

2-(5-oxopyrrolidin-2-yl)acetic acid

Structural Information

Molecular Formula
C6H9NO3
SMILES
C1CC(=O)NC1CC(=O)O
InChI
InChI=1S/C6H9NO3/c8-5-2-1-4(7-5)3-6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKey
LRKCFWRBMYJRIK-UHFFFAOYSA-N
Compound name
2-(5-oxopyrrolidin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

65
Patents

143.05824 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 128.9
[M+Na]+ 166.04746 135.6
[M-H]- 142.05096 128.2
[M+NH4]+ 161.09206 149.2
[M+K]+ 182.02140 134.0
[M+H-H2O]+ 126.05550 123.6
[M+HCOO]- 188.05644 147.9
[M+CH3COO]- 202.07209 166.8
[M+Na-2H]- 164.03291 131.4
[M]+ 143.05769 124.8
[M]- 143.05879 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

literature stripe

Patent stripe

patents stripe