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

6
Patents

148.06549 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07277 130.0
[M+Na]+ 171.05471 136.5
[M-H]- 147.05821 131.6
[M+NH4]+ 166.09931 151.6
[M+K]+ 187.02865 133.3
[M+H-H2O]+ 131.06275 126.2
[M+HCOO]- 193.06369 145.1
[M+CH3COO]- 207.07934 170.8
[M+Na-2H]- 169.04016 134.7
[M]+ 148.06494 126.7
[M]- 148.06604 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