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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe