CID 65920411

4-(chloromethyl)-1,1-dimethylcyclohexane

Structural Information

Molecular Formula
C9H17Cl
SMILES
CC1(CCC(CC1)CCl)C
InChI
InChI=1S/C9H17Cl/c1-9(2)5-3-8(7-10)4-6-9/h8H,3-7H2,1-2H3
InChIKey
XQUMSHCVUAVOCS-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1,1-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.10188 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.109156 134.2
[M+Na]+ 183.091098 141.1
[M-H]- 159.094604 137.3
[M+NH4]+ 178.135703 158.0
[M+K]+ 199.065038 138.1
[M+H-H2O]+ 143.099140 130.6
[M+HCOO]- 205.100081 149.8
[M+CH3COO]- 219.115731 177.1
[M+Na-2H]- 181.076546 139.4
[M]+ 160.10133142 132.2
[M]- 160.10242858 132.2
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.