CID 319935

2-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)acetic acid

Structural Information

Molecular Formula
C6H5NO4
SMILES
C1=CC(=O)N(C1=O)CC(=O)O
InChI
InChI=1S/C6H5NO4/c8-4-1-2-5(9)7(4)3-6(10)11/h1-2H,3H2,(H,10,11)
InChIKey
GBKPNGVKZQBPCZ-UHFFFAOYSA-N
Compound name
2-(2,5-dioxopyrrol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1265
Patents

155.02185 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02913 126.3
[M+Na]+ 178.01107 135.6
[M-H]- 154.01457 127.8
[M+NH4]+ 173.05567 147.0
[M+K]+ 193.98501 134.6
[M+H-H2O]+ 138.01911 121.0
[M+HCOO]- 200.02005 148.7
[M+CH3COO]- 214.03570 171.4
[M+Na-2H]- 175.99652 129.8
[M]+ 155.02130 126.7
[M]- 155.02240 126.7
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