CID 53925853

137736-28-8

Structural Information

Molecular Formula
C13H17ClO
SMILES
C1CC(CCC1CO)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H17ClO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h5-8,10-11,15H,1-4,9H2
InChIKey
INSWJXJRICZMOG-UHFFFAOYSA-N
Compound name
[4-(4-chlorophenyl)cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

224.09679 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10407 149.7
[M+Na]+ 247.08601 156.0
[M-H]- 223.08951 154.3
[M+NH4]+ 242.13061 168.1
[M+K]+ 263.05995 150.7
[M+H-H2O]+ 207.09405 144.0
[M+HCOO]- 269.09499 164.3
[M+CH3COO]- 283.11064 185.5
[M+Na-2H]- 245.07146 152.9
[M]+ 224.09624 146.6
[M]- 224.09734 146.6
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