CID 114233

63767-86-2

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CC(C)C1CCC(CC1)C(C)O

InChI

InChI=1S/C11H22O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h8-12H,4-7H2,1-3H3

InChIKey

NEHPIUGJDUWSRR-UHFFFAOYSA-N

Compound name

1-(4-propan-2-ylcyclohexyl)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2204
Patents: 170.16707 Da
Monoisotopic Mass: 3.4
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]+	171.17435	142.6
[M+Na]+	193.15629	146.0
[M-H]-	169.15979	143.8
[M+NH4]+	188.20089	162.3
[M+K]+	209.13023	144.9
[M+H-H2O]+	153.16433	137.4
[M+HCOO]-	215.16527	158.8
[M+CH3COO]-	229.18092	180.7
[M+Na-2H]-	191.14174	143.0
[M]+	170.16652	137.5
[M]-	170.16762	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe