CID 131632030

2-hydroxy-3-(1-methyl-1h-imidazol-4-yl)propanoic acid

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CN1C=C(N=C1)CC(C(=O)O)O
InChI
InChI=1S/C7H10N2O3/c1-9-3-5(8-4-9)2-6(10)7(11)12/h3-4,6,10H,2H2,1H3,(H,11,12)
InChIKey
YOKZDFGULJQDFX-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(1-methylimidazol-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 135.0
[M+Na]+ 193.058358 142.8
[M-H]- 169.061864 133.6
[M+NH4]+ 188.102963 153.0
[M+K]+ 209.032298 141.6
[M+H-H2O]+ 153.066400 128.6
[M+HCOO]- 215.067341 154.2
[M+CH3COO]- 229.082991 173.7
[M+Na-2H]- 191.043806 137.7
[M]+ 170.06859142 134.8
[M]- 170.06968858 134.8
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.