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

16
Patents

146.08623 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09351 131.0
[M+Na]+ 169.07545 137.4
[M-H]- 145.07895 133.8
[M+NH4]+ 164.12005 153.3
[M+K]+ 185.04939 134.5
[M+H-H2O]+ 129.08349 126.8
[M+HCOO]- 191.08443 146.9
[M+CH3COO]- 205.10008 174.6
[M+Na-2H]- 167.06090 135.6
[M]+ 146.08568 128.4
[M]- 146.08678 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