CID 22326187

95851-08-4

Structural Information

Molecular Formula

C₁₆H₃₂O

SMILES

CCCC(CCC1C(CCC(C1(C)C)C)C)O

InChI

InChI=1S/C16H32O/c1-6-7-14(17)10-11-15-12(2)8-9-13(3)16(15,4)5/h12-15,17H,6-11H2,1-5H3

InChIKey

ZXEXKFFXTYZXJT-UHFFFAOYSA-N

Compound name

1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 385
Patents: 240.24532 Da
Monoisotopic Mass: 5.5
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]+	241.25260	161.7
[M+Na]+	263.23454	166.1
[M-H]-	239.23804	163.0
[M+NH4]+	258.27914	181.4
[M+K]+	279.20848	163.7
[M+H-H2O]+	223.24258	157.1
[M+HCOO]-	285.24352	177.2
[M+CH3COO]-	299.25917	196.9
[M+Na-2H]-	261.21999	160.8
[M]+	240.24477	160.2
[M]-	240.24587	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe