CID 172880027

Chebi:233517

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CN1C=NC(C1=O)CCC(=O)O
InChI
InChI=1S/C7H10N2O3/c1-9-4-8-5(7(9)12)2-3-6(10)11/h4-5H,2-3H2,1H3,(H,10,11)
InChIKey
KRDXVUCSSUGYII-UHFFFAOYSA-N
Compound name
3-(1-methyl-5-oxo-4H-imidazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.06914 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.076416 134.1
[M+Na]+ 193.058358 142.9
[M-H]- 169.061864 134.1
[M+NH4]+ 188.102963 153.1
[M+K]+ 209.032298 141.6
[M+H-H2O]+ 153.066400 127.8
[M+HCOO]- 215.067341 154.5
[M+CH3COO]- 229.082991 176.0
[M+Na-2H]- 191.043806 136.9
[M]+ 170.06859142 134.7
[M]- 170.06968858 134.7
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.