CID 64249718

2-(3-methylcyclohexyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C13H24O
SMILES
CC1CCCC(C1)C2CCCCC2O
InChI
InChI=1S/C13H24O/c1-10-5-4-6-11(9-10)12-7-2-3-8-13(12)14/h10-14H,2-9H2,1H3
InChIKey
YJRKICUHINGZKG-UHFFFAOYSA-N
Compound name
2-(3-methylcyclohexyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.18271 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.18999 148.8
[M+Na]+ 219.17193 151.0
[M-H]- 195.17543 152.4
[M+NH4]+ 214.21653 167.1
[M+K]+ 235.14587 148.3
[M+H-H2O]+ 179.17997 142.4
[M+HCOO]- 241.18091 163.4
[M+CH3COO]- 255.19656 182.9
[M+Na-2H]- 217.15738 149.4
[M]+ 196.18216 139.2
[M]- 196.18326 139.2
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

No patent data available for this compound.