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
1
Annotation Hits

0
References

2
Patents

222.19836 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 155.8
[M+Na]+ 245.18758 156.9
[M-H]- 221.19108 158.1
[M+NH4]+ 240.23218 176.1
[M+K]+ 261.16152 153.3
[M+H-H2O]+ 205.19562 149.0
[M+HCOO]- 267.19656 166.4
[M+CH3COO]- 281.21221 164.6
[M+Na-2H]- 243.17303 158.8
[M]+ 222.19781 144.4
[M]- 222.19891 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