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

68
Patents

169.08513 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 136.6
[M+Na]+ 192.07435 143.6
[M-H]- 168.07785 134.8
[M+NH4]+ 187.11895 154.1
[M+K]+ 208.04829 141.5
[M+H-H2O]+ 152.08239 129.8
[M+HCOO]- 214.08333 156.0
[M+CH3COO]- 228.09898 176.0
[M+Na-2H]- 190.05980 138.6
[M]+ 169.08458 133.2
[M]- 169.08568 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