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

45
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 129.4
[M+Na]+ 180.02672 137.2
[M-H]- 156.03022 129.1
[M+NH4]+ 175.07132 149.2
[M+K]+ 196.00066 135.5
[M+H-H2O]+ 140.03476 124.3
[M+HCOO]- 202.03570 148.8
[M+CH3COO]- 216.05135 169.3
[M+Na-2H]- 178.01217 131.4
[M]+ 157.03695 126.5
[M]- 157.03805 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