CID 163417

1,5,8-trimethylbicyclo[3.2.1]octan-8-ol

Structural Information

Molecular Formula
C11H20O
SMILES
CC12CCCC(C1(C)O)(CC2)C
InChI
InChI=1S/C11H20O/c1-9-5-4-6-10(2,8-7-9)11(9,3)12/h12H,4-8H2,1-3H3
InChIKey
MBWDTSVSVTZUBE-UHFFFAOYSA-N
Compound name
1,5,8-trimethylbicyclo[3.2.1]octan-8-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

168.15141 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 139.2
[M+Na]+ 191.14063 147.1
[M-H]- 167.14413 141.0
[M+NH4]+ 186.18523 168.6
[M+K]+ 207.11457 144.3
[M+H-H2O]+ 151.14867 136.4
[M+HCOO]- 213.14961 156.4
[M+CH3COO]- 227.16526 177.3
[M+Na-2H]- 189.12608 146.2
[M]+ 168.15086 136.6
[M]- 168.15196 136.6
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