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]+ 161.10916 134.2
[M+Na]+ 183.09110 141.1
[M-H]- 159.09460 137.3
[M+NH4]+ 178.13570 158.0
[M+K]+ 199.06504 138.1
[M+H-H2O]+ 143.09914 130.6
[M+HCOO]- 205.10008 149.8
[M+CH3COO]- 219.11573 177.1
[M+Na-2H]- 181.07655 139.4
[M]+ 160.10133 132.2
[M]- 160.10243 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.