CID 90657165

4-(3-carboxy-3-oxo-propenyl)-2,3-dihydro-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C9H9NO5
SMILES
C1C(NC=C1/C=C\C(=O)C(=O)O)C(=O)O
InChI
InChI=1S/C9H9NO5/c11-7(9(14)15)2-1-5-3-6(8(12)13)10-4-5/h1-2,4,6,10H,3H2,(H,12,13)(H,14,15)/b2-1-
InChIKey
AYBUENGBNNZJHB-UPHRSURJSA-N
Compound name
4-[(Z)-3-carboxy-3-oxoprop-1-enyl]-2,3-dihydro-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

211.04807 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05535 146.3
[M+Na]+ 234.03729 152.3
[M+NH4]+ 229.08189 149.7
[M+K]+ 250.01123 152.9
[M-H]- 210.04079 141.8
[M+Na-2H]- 232.02274 145.7
[M]+ 211.04752 144.9
[M]- 211.04862 144.9
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

No patent data available for this compound.