CID 83389

2-isopropyl-4-nitro-1h-imidazole

Structural Information

Molecular Formula
C6H9N3O2
SMILES
CC(C)C1=NC=C(N1)[N+](=O)[O-]
InChI
InChI=1S/C6H9N3O2/c1-4(2)6-7-3-5(8-6)9(10)11/h3-4H,1-2H3,(H,7,8)
InChIKey
SQZCZXRYOJJCDU-UHFFFAOYSA-N
Compound name
5-nitro-2-propan-2-yl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

155.06947 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 130.0
[M+Na]+ 178.05869 137.7
[M-H]- 154.06219 130.3
[M+NH4]+ 173.10329 148.8
[M+K]+ 194.03263 132.5
[M+H-H2O]+ 138.06673 128.1
[M+HCOO]- 200.06767 152.5
[M+CH3COO]- 214.08332 168.1
[M+Na-2H]- 176.04414 136.6
[M]+ 155.06892 127.1
[M]- 155.07002 127.1
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