CID 107272

Tetrahydroionol

Structural Information

Molecular Formula
C13H26O
SMILES
CC1CCCC(C1CCC(C)O)(C)C
InChI
InChI=1S/C13H26O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h10-12,14H,5-9H2,1-4H3
InChIKey
UZWOWEPOVKVMEL-UHFFFAOYSA-N
Compound name
4-(2,2,6-trimethylcyclohexyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

214
Patents

198.19836 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.20564 149.9
[M+Na]+ 221.18758 159.9
[M+NH4]+ 216.23218 159.8
[M+K]+ 237.16152 151.8
[M-H]- 197.19108 151.5
[M+Na-2H]- 219.17303 154.7
[M]+ 198.19781 151.8
[M]- 198.19891 151.8
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