CID 96182

2-(2,5-dioxopyrrolidin-1-yl)acetic acid

Structural Information

Molecular Formula
C6H7NO4
SMILES
C1CC(=O)N(C1=O)CC(=O)O
InChI
InChI=1S/C6H7NO4/c8-4-1-2-5(9)7(4)3-6(10)11/h1-3H2,(H,10,11)
InChIKey
ZQBWYXZRSMMISZ-UHFFFAOYSA-N
Compound name
2-(2,5-dioxopyrrolidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

772
Patents

157.0375 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04478 128.3
[M+Na]+ 180.02672 136.6
[M-H]- 156.03022 129.4
[M+NH4]+ 175.07132 148.9
[M+K]+ 196.00066 135.8
[M+H-H2O]+ 140.03476 123.1
[M+HCOO]- 202.03570 149.2
[M+CH3COO]- 216.05135 171.8
[M+Na-2H]- 178.01217 130.9
[M]+ 157.03695 127.3
[M]- 157.03805 127.3
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