CID 21630925

1-(2-chloropropan-2-yl)-4-methylcyclohexane

Structural Information

Molecular Formula
C10H19Cl
SMILES
CC1CCC(CC1)C(C)(C)Cl
InChI
InChI=1S/C10H19Cl/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9H,4-7H2,1-3H3
InChIKey
PSIVEDXXQQCFIW-UHFFFAOYSA-N
Compound name
1-(2-chloropropan-2-yl)-4-methylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.11752 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12480 139.8
[M+Na]+ 197.10674 145.9
[M-H]- 173.11024 142.6
[M+NH4]+ 192.15134 161.2
[M+K]+ 213.08068 142.8
[M+H-H2O]+ 157.11478 135.8
[M+HCOO]- 219.11572 153.5
[M+CH3COO]- 233.13137 180.9
[M+Na-2H]- 195.09219 143.9
[M]+ 174.11697 137.5
[M]- 174.11807 137.5
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

No patent data available for this compound.