CID 9543309

5-oxo-4,5-dihydropyrrole-2-carboxylate

Structural Information

Molecular Formula
C5H5NO3
SMILES
C1C=C(NC1=O)C(=O)O
InChI
InChI=1S/C5H5NO3/c7-4-2-1-3(6-4)5(8)9/h1H,2H2,(H,6,7)(H,8,9)
InChIKey
UKUHCFOPVAFYIJ-UHFFFAOYSA-N
Compound name
2-oxo-1,3-dihydropyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

127.02694 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.03422 122.2
[M+Na]+ 150.01616 130.4
[M-H]- 126.01966 122.1
[M+NH4]+ 145.06076 143.2
[M+K]+ 165.99010 128.8
[M+H-H2O]+ 110.02420 117.1
[M+HCOO]- 172.02514 143.0
[M+CH3COO]- 186.04079 163.4
[M+Na-2H]- 148.00161 126.3
[M]+ 127.02639 119.2
[M]- 127.02749 119.2
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