CID 55303021

3-(chloromethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C7H13ClO
SMILES
C1CC(CC(C1)O)CCl
InChI
InChI=1S/C7H13ClO/c8-5-6-2-1-3-7(9)4-6/h6-7,9H,1-5H2
InChIKey
CNBXMNAOXSVAFB-UHFFFAOYSA-N
Compound name
3-(chloromethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

148.06549 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.072766 130.0
[M+Na]+ 171.054708 136.5
[M-H]- 147.058214 131.6
[M+NH4]+ 166.099313 151.6
[M+K]+ 187.028648 133.3
[M+H-H2O]+ 131.062750 126.2
[M+HCOO]- 193.063691 145.1
[M+CH3COO]- 207.079341 170.8
[M+Na-2H]- 169.040156 134.7
[M]+ 148.06494142 126.7
[M]- 148.06603858 126.7
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