CID 233310

2-(2,5-dioxopyrrolidin-3-yl)acetic acid

Structural Information

Molecular Formula
C6H7NO4
SMILES
C1C(C(=O)NC1=O)CC(=O)O
InChI
InChI=1S/C6H7NO4/c8-4-1-3(2-5(9)10)6(11)7-4/h3H,1-2H2,(H,9,10)(H,7,8,11)
InChIKey
BUOBSJLBSQRFHS-UHFFFAOYSA-N
Compound name
2-(2,5-dioxopyrrolidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

157.0375 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04478 132.0
[M+Na]+ 180.02672 139.8
[M+NH4]+ 175.07132 137.3
[M+K]+ 196.00066 139.0
[M-H]- 156.03022 129.2
[M+Na-2H]- 178.01217 132.9
[M]+ 157.03695 131.6
[M]- 157.03805 131.6
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