CID 20739

4-isopropylcyclohexanol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC(C)C1CCC(CC1)O

InChI

InChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3

InChIKey

DKKRDMLKVSKFMJ-UHFFFAOYSA-N

Compound name

4-propan-2-ylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 2745
Patents: 142.13577 Da
Monoisotopic Mass: 2.6
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]+	143.14305	133.3
[M+Na]+	165.12499	137.9
[M-H]-	141.12849	134.9
[M+NH4]+	160.16959	154.3
[M+K]+	181.09893	136.8
[M+H-H2O]+	125.13303	128.4
[M+HCOO]-	187.13397	151.2
[M+CH3COO]-	201.14962	173.8
[M+Na-2H]-	163.11044	136.1
[M]+	142.13522	128.2
[M]-	142.13632	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe