CID 89552

9-cyclohexylbicyclo(3.3.1)nonan-9-ol

Structural Information

Molecular Formula
C15H26O
SMILES
C1CCC(CC1)C2(C3CCCC2CCC3)O
InChI
InChI=1S/C15H26O/c16-15(12-6-2-1-3-7-12)13-8-4-9-14(15)11-5-10-13/h12-14,16H,1-11H2
InChIKey
MYSPSMCNWBEYPP-UHFFFAOYSA-N
Compound name
9-cyclohexylbicyclo[3.3.1]nonan-9-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

222.19836 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 155.8
[M+Na]+ 245.187578 156.9
[M-H]- 221.191084 158.1
[M+NH4]+ 240.232183 176.1
[M+K]+ 261.161518 153.3
[M+H-H2O]+ 205.195620 149.0
[M+HCOO]- 267.196561 166.4
[M+CH3COO]- 281.212211 164.6
[M+Na-2H]- 243.173026 158.8
[M]+ 222.19781142 144.4
[M]- 222.19890858 144.4
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