CID 150780

2-amino-3-(1h-imidazol-5-yl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C7H11N3O2
SMILES
C[C@](CC1=CN=CN1)(C(=O)O)N
InChI
InChI=1S/C7H11N3O2/c1-7(8,6(11)12)2-5-3-9-4-10-5/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)/t7-/m0/s1
InChIKey
HRRYYCWYCMJNGA-ZETCQYMHSA-N
Compound name
(2S)-2-amino-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

4848
Patents

169.08513 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.092406 136.7
[M+Na]+ 192.074348 143.4
[M-H]- 168.077854 134.7
[M+NH4]+ 187.118953 154.0
[M+K]+ 208.048288 141.2
[M+H-H2O]+ 152.082390 130.2
[M+HCOO]- 214.083331 155.4
[M+CH3COO]- 228.098981 174.2
[M+Na-2H]- 190.059796 141.5
[M]+ 169.08458142 133.0
[M]- 169.08567858 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe