CID 53686993

(2s)-2-amino-3-(1h-imidazol-4-yl)-n-methylpropanamide dihydrochloride

Structural Information

Molecular Formula
C7H12N4O
SMILES
CNC(=O)[C@H](CC1=CN=CN1)N
InChI
InChI=1S/C7H12N4O/c1-9-7(12)6(8)2-5-3-10-4-11-5/h3-4,6H,2,8H2,1H3,(H,9,12)(H,10,11)/t6-/m0/s1
InChIKey
BKNRTJJZMZGFEH-LURJTMIESA-N
Compound name
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

168.1011 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10838 136.8
[M+Na]+ 191.09032 142.5
[M-H]- 167.09382 136.0
[M+NH4]+ 186.13492 154.5
[M+K]+ 207.06426 140.8
[M+H-H2O]+ 151.09836 129.0
[M+HCOO]- 213.09930 158.5
[M+CH3COO]- 227.11495 179.6
[M+Na-2H]- 189.07577 140.5
[M]+ 168.10055 132.6
[M]- 168.10165 132.6
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