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]+ 169.158686 139.2
[M+Na]+ 191.140628 147.1
[M-H]- 167.144134 141.0
[M+NH4]+ 186.185233 168.6
[M+K]+ 207.114568 144.3
[M+H-H2O]+ 151.148670 136.4
[M+HCOO]- 213.149611 156.4
[M+CH3COO]- 227.165261 177.3
[M+Na-2H]- 189.126076 146.2
[M]+ 168.15086142 136.6
[M]- 168.15195858 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