CID 10197798

99310-57-3

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

C1=C(NC(=O)N1)CCC(=O)O

InChI

InChI=1S/C6H8N2O3/c9-5(10)2-1-4-3-7-6(11)8-4/h3H,1-2H2,(H,9,10)(H2,7,8,11)

InChIKey

KBRYYKGFQBNWNF-UHFFFAOYSA-N

Compound name

3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 156.0535 Da
Monoisotopic Mass: -1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	157.06078	130.5
[M+Na]+	179.04272	138.8
[M-H]-	155.04622	127.7
[M+NH4]+	174.08732	148.3
[M+K]+	195.01666	135.7
[M+H-H2O]+	139.05076	124.3
[M+HCOO]-	201.05170	149.6
[M+CH3COO]-	215.06735	166.5
[M+Na-2H]-	177.02817	134.3
[M]+	156.05295	127.9
[M]-	156.05405	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe