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

186
Patents

236.21402 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.22130 157.6
[M+Na]+ 259.20324 162.9
[M+NH4]+ 254.24784 167.3
[M+K]+ 275.17718 153.7
[M-H]- 235.20674 155.8
[M+Na-2H]- 257.18869 156.5
[M]+ 236.21347 157.0
[M]- 236.21457 157.0
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

patents stripe