CID 13032133

2-(chloromethyl)-1-methyl-5-nitro-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C5H6ClN3O2
SMILES
CN1C(=CN=C1CCl)[N+](=O)[O-]
InChI
InChI=1S/C5H6ClN3O2/c1-8-4(2-6)7-3-5(8)9(10)11/h3H,2H2,1H3
InChIKey
PDISGXFXQFGQFB-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1-methyl-5-nitroimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

175.01485 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.02213 132.4
[M+Na]+ 198.00407 142.3
[M-H]- 174.00757 133.8
[M+NH4]+ 193.04867 152.0
[M+K]+ 213.97801 136.1
[M+H-H2O]+ 158.01211 131.1
[M+HCOO]- 220.01305 152.7
[M+CH3COO]- 234.02870 172.2
[M+Na-2H]- 195.98952 139.6
[M]+ 175.01430 133.5
[M]- 175.01540 133.5
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