CID 203221

Imidazole, 5-chloro-1-isobutyl-2-isopropyl-

Structural Information

Molecular Formula
C10H17ClN2
SMILES
CC(C)CN1C(=CN=C1C(C)C)Cl
InChI
InChI=1S/C10H17ClN2/c1-7(2)6-13-9(11)5-12-10(13)8(3)4/h5,7-8H,6H2,1-4H3
InChIKey
FBAUXGDXYHQKES-UHFFFAOYSA-N
Compound name
5-chloro-1-(2-methylpropyl)-2-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10803 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11531 145.0
[M+Na]+ 223.09725 154.0
[M-H]- 199.10075 146.0
[M+NH4]+ 218.14185 164.7
[M+K]+ 239.07119 150.9
[M+H-H2O]+ 183.10529 138.7
[M+HCOO]- 245.10623 160.7
[M+CH3COO]- 259.12188 187.7
[M+Na-2H]- 221.08270 145.9
[M]+ 200.10748 148.2
[M]- 200.10858 148.2
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

No patent data available for this compound.