CID 66130095

3-amino-2-{[1-(propan-2-yl)-1h-imidazol-5-yl]methyl}propanoic acid dihydrochloride

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CC(C)N1C=NC=C1CC(CN)C(=O)O
InChI
InChI=1S/C10H17N3O2/c1-7(2)13-6-12-5-9(13)3-8(4-11)10(14)15/h5-8H,3-4,11H2,1-2H3,(H,14,15)
InChIKey
LGFDUQREKBPBSF-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-(3-propan-2-ylimidazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.13208 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.139356 149.9
[M+Na]+ 234.121298 155.8
[M-H]- 210.124804 149.1
[M+NH4]+ 229.165903 166.4
[M+K]+ 250.095238 154.3
[M+H-H2O]+ 194.129340 142.5
[M+HCOO]- 256.130281 168.8
[M+CH3COO]- 270.145931 188.4
[M+Na-2H]- 232.106746 149.7
[M]+ 211.13153142 148.9
[M]- 211.13262858 148.9
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.