CID 118112370

1632042-40-0

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CCC(C1CCC(=CC1C)C)O

InChI

InChI=1S/C11H20O/c1-4-11(12)10-6-5-8(2)7-9(10)3/h7,9-12H,4-6H2,1-3H3

InChIKey

SEKKPAAQEVQKEH-UHFFFAOYSA-N

Compound name

1-(2,4-dimethylcyclohex-3-en-1-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 13
Patents: 168.15141 Da
Monoisotopic Mass: 2.5
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]+	169.158686	139.6
[M+Na]+	191.140628	145.4
[M-H]-	167.144134	141.6
[M+NH4]+	186.185233	160.0
[M+K]+	207.114568	143.6
[M+H-H2O]+	151.148670	134.6
[M+HCOO]-	213.149611	158.4
[M+CH3COO]-	227.165261	180.6
[M+Na-2H]-	189.126076	141.7
[M]+	168.15086142	137.1
[M]-	168.15195858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe