CID 2724233

1-(2-aminoethyl)-2-methyl-5-nitroimidazole dihydrochloride

Structural Information

Molecular Formula
C6H10N4O2
SMILES
CC1=NC=C(N1CCN)[N+](=O)[O-]
InChI
InChI=1S/C6H10N4O2/c1-5-8-4-6(10(11)12)9(5)3-2-7/h4H,2-3,7H2,1H3
InChIKey
FTZVRGDRIAPBKO-UHFFFAOYSA-N
Compound name
2-(2-methyl-5-nitroimidazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

143
Patents

170.08037 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.087646 132.8
[M+Na]+ 193.069588 141.1
[M-H]- 169.073094 134.1
[M+NH4]+ 188.114193 151.3
[M+K]+ 209.043528 135.7
[M+H-H2O]+ 153.077630 130.3
[M+HCOO]- 215.078571 158.0
[M+CH3COO]- 229.094221 175.2
[M+Na-2H]- 191.055036 139.8
[M]+ 170.07982142 130.9
[M]- 170.08091858 130.9
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