CID 103005

Isobornyl cyclohexanol

Structural Information

Molecular Formula
C16H28O
SMILES
CC1C2CC(C1(C)C)CC2C3CCCC(C3)O
InChI
InChI=1S/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h10-15,17H,4-9H2,1-3H3
InChIKey
BWVZAZPLUTUBKD-UHFFFAOYSA-N
Compound name
3-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

3509
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 161.0
[M+Na]+ 259.203238 166.5
[M-H]- 235.206744 165.1
[M+NH4]+ 254.247843 185.7
[M+K]+ 275.177178 162.2
[M+H-H2O]+ 219.211280 156.9
[M+HCOO]- 281.212221 175.7
[M+CH3COO]- 295.227871 192.7
[M+Na-2H]- 257.188686 158.8
[M]+ 236.21347142 155.7
[M]- 236.21456858 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe