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]+ 251.23694 163.4
[M+Na]+ 273.21888 169.9
[M-H]- 249.22238 167.7
[M+NH4]+ 268.26348 191.2
[M+K]+ 289.19282 165.2
[M+H-H2O]+ 233.22692 159.8
[M+HCOO]- 295.22786 177.8
[M+CH3COO]- 309.24351 194.1
[M+Na-2H]- 271.20433 163.7
[M]+ 250.22911 159.0
[M]- 250.23021 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.