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

1
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

patents stripe