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]+ 212.13936 149.1
[M+Na]+ 234.12130 156.6
[M+NH4]+ 229.16590 154.3
[M+K]+ 250.09524 155.7
[M-H]- 210.12480 147.4
[M+Na-2H]- 232.10675 151.0
[M]+ 211.13153 149.1
[M]- 211.13263 149.1
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.