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

54
Patents

157.0375 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.044776 129.4
[M+Na]+ 180.026718 137.2
[M-H]- 156.030224 129.1
[M+NH4]+ 175.071323 149.2
[M+K]+ 196.000658 135.5
[M+H-H2O]+ 140.034760 124.3
[M+HCOO]- 202.035701 148.8
[M+CH3COO]- 216.051351 169.3
[M+Na-2H]- 178.012166 131.4
[M]+ 157.03695142 126.5
[M]- 157.03804858 126.5
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