CID 249489

Cyclohexanol, 4-(cyclohexylmethyl)-

Structural Information

Molecular Formula
C13H24O
SMILES
C1CCC(CC1)CC2CCC(CC2)O
InChI
InChI=1S/C13H24O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h11-14H,1-10H2
InChIKey
QYZFQZJJSMHXOK-UHFFFAOYSA-N
Compound name
4-(cyclohexylmethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

196.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 149.1
[M+Na]+ 219.171928 150.3
[M-H]- 195.175434 152.3
[M+NH4]+ 214.216533 167.0
[M+K]+ 235.145868 147.6
[M+H-H2O]+ 179.179970 142.4
[M+HCOO]- 241.180911 163.7
[M+CH3COO]- 255.196561 181.8
[M+Na-2H]- 217.157376 150.3
[M]+ 196.18216142 139.0
[M]- 196.18325858 139.0
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