CID 10773449

166331-05-1

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CC1=C(N=CN1)CC(C(=O)O)N
InChI
InChI=1S/C7H11N3O2/c1-4-6(10-3-9-4)2-5(8)7(11)12/h3,5H,2,8H2,1H3,(H,9,10)(H,11,12)
InChIKey
UAFOEWLJICDDGE-UHFFFAOYSA-N
Compound name
2-amino-3-(5-methyl-1H-imidazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

169.08513 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.092406 136.6
[M+Na]+ 192.074348 143.6
[M-H]- 168.077854 134.8
[M+NH4]+ 187.118953 154.1
[M+K]+ 208.048288 141.5
[M+H-H2O]+ 152.082390 129.8
[M+HCOO]- 214.083331 156.0
[M+CH3COO]- 228.098981 176.0
[M+Na-2H]- 190.059796 138.6
[M]+ 169.08458142 133.2
[M]- 169.08567858 133.2
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