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

206
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 149.5
[M+Na]+ 221.18758 154.3
[M-H]- 197.19108 151.1
[M+NH4]+ 216.23218 170.6
[M+K]+ 237.16152 152.5
[M+H-H2O]+ 181.19562 145.1
[M+HCOO]- 243.19656 166.1
[M+CH3COO]- 257.21221 186.6
[M+Na-2H]- 219.17303 150.7
[M]+ 198.19781 146.5
[M]- 198.19891 146.5
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

No patent data available for this compound.