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]+ 172.06044 134.2
[M+Na]+ 194.04238 141.9
[M-H]- 170.04588 132.7
[M+NH4]+ 189.08698 152.9
[M+K]+ 210.01632 139.4
[M+H-H2O]+ 154.05042 129.0
[M+HCOO]- 216.05136 153.0
[M+CH3COO]- 230.06701 170.4
[M+Na-2H]- 192.02783 136.1
[M]+ 171.05261 131.9
[M]- 171.05371 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.