CID 13327355

1-(chloromethyl)-4-methylcyclohexane

Structural Information

Molecular Formula
C8H15Cl
SMILES
CC1CCC(CC1)CCl
InChI
InChI=1S/C8H15Cl/c1-7-2-4-8(6-9)5-3-7/h7-8H,2-6H2,1H3
InChIKey
UURNLXIWBYIBFP-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-methylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

146.08623 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.093506 131.0
[M+Na]+ 169.075448 137.4
[M-H]- 145.078954 133.8
[M+NH4]+ 164.120053 153.3
[M+K]+ 185.049388 134.5
[M+H-H2O]+ 129.083490 126.8
[M+HCOO]- 191.084431 146.9
[M+CH3COO]- 205.100081 174.6
[M+Na-2H]- 167.060896 135.6
[M]+ 146.08568142 128.4
[M]- 146.08677858 128.4
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

patents stripe