CID 10197798

3-(2-oxo-2,3-dihydro-1h-imidazol-4-yl)propanoic acid

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

54
Patents

156.0535 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.060776 130.5
[M+Na]+ 179.042718 138.8
[M-H]- 155.046224 127.7
[M+NH4]+ 174.087323 148.3
[M+K]+ 195.016658 135.7
[M+H-H2O]+ 139.050760 124.3
[M+HCOO]- 201.051701 149.6
[M+CH3COO]- 215.067351 166.5
[M+Na-2H]- 177.028166 134.3
[M]+ 156.05295142 127.9
[M]- 156.05404858 127.9
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

patents stripe