CID 55301238

1-(2-chloroethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C8H15ClO
SMILES
C1CCC(CC1)(CCCl)O
InChI
InChI=1S/C8H15ClO/c9-7-6-8(10)4-2-1-3-5-8/h10H,1-7H2
InChIKey
KXDHQOPYCYXECQ-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.08115 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08843 134.5
[M+Na]+ 185.07037 140.5
[M-H]- 161.07387 136.0
[M+NH4]+ 180.11497 157.2
[M+K]+ 201.04431 137.3
[M+H-H2O]+ 145.07841 131.0
[M+HCOO]- 207.07935 149.3
[M+CH3COO]- 221.09500 172.3
[M+Na-2H]- 183.05582 140.4
[M]+ 162.08060 131.4
[M]- 162.08170 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.