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
3
Annotation Hits

0
References

190
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 168.6
[M+Na]+ 259.20324 172.0
[M-H]- 235.20674 168.8
[M+NH4]+ 254.24784 187.4
[M+K]+ 275.17718 170.8
[M+H-H2O]+ 219.21128 159.3
[M+HCOO]- 281.21222 175.6
[M+CH3COO]- 295.22787 177.1
[M+Na-2H]- 257.18869 173.7
[M]+ 236.21347 174.7
[M]- 236.21457 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