CID 64728937

1-(2-chloroethyl)-3,5-dimethylcyclohexane

Structural Information

Molecular Formula
C10H19Cl
SMILES
CC1CC(CC(C1)CCCl)C
InChI
InChI=1S/C10H19Cl/c1-8-5-9(2)7-10(6-8)3-4-11/h8-10H,3-7H2,1-2H3
InChIKey
OLLYUSFVDOKLGL-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3,5-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.11752 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12480 139.6
[M+Na]+ 197.10674 146.1
[M-H]- 173.11024 142.4
[M+NH4]+ 192.15134 161.1
[M+K]+ 213.08068 142.7
[M+H-H2O]+ 157.11478 135.3
[M+HCOO]- 219.11572 154.8
[M+CH3COO]- 233.13137 181.7
[M+Na-2H]- 195.09219 142.4
[M]+ 174.11697 138.1
[M]- 174.11807 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.