CID 172941

Bornyl-2-methylcyclohexanol

Structural Information

Molecular Formula
C17H30O
SMILES
CC1CCCCC1(C2CC3CCC2(C3(C)C)C)O
InChI
InChI=1S/C17H30O/c1-12-7-5-6-9-17(12,18)14-11-13-8-10-16(14,4)15(13,2)3/h12-14,18H,5-11H2,1-4H3
InChIKey
GLJXSTZAHNJDMY-UHFFFAOYSA-N
Compound name
2-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

250.22966 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.236936 163.4
[M+Na]+ 273.218878 169.9
[M-H]- 249.222384 167.7
[M+NH4]+ 268.263483 191.2
[M+K]+ 289.192818 165.2
[M+H-H2O]+ 233.226920 159.8
[M+HCOO]- 295.227861 177.8
[M+CH3COO]- 309.243511 194.1
[M+Na-2H]- 271.204326 163.7
[M]+ 250.22911142 159.0
[M]- 250.23020858 159.0
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

No patent data available for this compound.