CID 111394

Bornylcyclohexanol

Structural Information

Molecular Formula
C16H28O
SMILES
CC1(C2CCC(C1(C2)C)C3CCC(CC3)O)C
InChI
InChI=1S/C16H28O/c1-15(2)12-6-9-14(16(15,3)10-12)11-4-7-13(17)8-5-11/h11-14,17H,4-10H2,1-3H3
InChIKey
DYAWFJGTISRTFV-UHFFFAOYSA-N
Compound name
4-(1,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

134
Patents

236.21402 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.221296 168.6
[M+Na]+ 259.203238 172.0
[M-H]- 235.206744 168.8
[M+NH4]+ 254.247843 187.4
[M+K]+ 275.177178 170.8
[M+H-H2O]+ 219.211280 159.3
[M+HCOO]- 281.212221 175.6
[M+CH3COO]- 295.227871 177.1
[M+Na-2H]- 257.188686 173.7
[M]+ 236.21347142 174.7
[M]- 236.21456858 174.7
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