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]+ 197.18999 149.1
[M+Na]+ 219.17193 150.3
[M-H]- 195.17543 152.3
[M+NH4]+ 214.21653 167.0
[M+K]+ 235.14587 147.6
[M+H-H2O]+ 179.17997 142.4
[M+HCOO]- 241.18091 163.7
[M+CH3COO]- 255.19656 181.8
[M+Na-2H]- 217.15738 150.3
[M]+ 196.18216 139.0
[M]- 196.18326 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