CID 90175

5-isopropyl-1-methyl-2-nitro-1h-imidazole

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CC(C)C1=CN=C(N1C)[N+](=O)[O-]
InChI
InChI=1S/C7H11N3O2/c1-5(2)6-4-8-7(9(6)3)10(11)12/h4-5H,1-3H3
InChIKey
NOXMCEHYBLYCTK-UHFFFAOYSA-N
Compound name
1-methyl-2-nitro-5-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

34
Patents

169.08513 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.092406 134.0
[M+Na]+ 192.074348 142.7
[M-H]- 168.077854 135.9
[M+NH4]+ 187.118953 153.3
[M+K]+ 208.048288 138.1
[M+H-H2O]+ 152.082390 132.1
[M+HCOO]- 214.083331 157.7
[M+CH3COO]- 228.098981 175.1
[M+Na-2H]- 190.059796 139.9
[M]+ 169.08458142 133.7
[M]- 169.08567858 133.7
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