CID 54256997

2,5-dihydro-4-(2- hydroxyethyl)-5-oxo-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C7H9NO4
SMILES
C1C(=C(C(=O)N1)CCO)C(=O)O
InChI
InChI=1S/C7H9NO4/c9-2-1-4-5(7(11)12)3-8-6(4)10/h9H,1-3H2,(H,8,10)(H,11,12)
InChIKey
RATUATMNZFPZJY-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

171.05316 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.060436 134.2
[M+Na]+ 194.042378 141.9
[M-H]- 170.045884 132.7
[M+NH4]+ 189.086983 152.9
[M+K]+ 210.016318 139.4
[M+H-H2O]+ 154.050420 129.0
[M+HCOO]- 216.051361 153.0
[M+CH3COO]- 230.067011 170.4
[M+Na-2H]- 192.027826 136.1
[M]+ 171.05261142 131.9
[M]- 171.05370858 131.9
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

No patent data available for this compound.