CID 85903

15760-18-6

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CC1=CCC(CC1)C(C)CCO

InChI

InChI=1S/C11H20O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,10-12H,4-8H2,1-2H3

InChIKey

JTVKFAPEIBMMHX-UHFFFAOYSA-N

Compound name

3-(4-methylcyclohex-3-en-1-yl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 449
Patents: 168.15141 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]+	169.158686	140.5
[M+Na]+	191.140628	145.3
[M-H]-	167.144134	142.0
[M+NH4]+	186.185233	160.5
[M+K]+	207.114568	143.5
[M+H-H2O]+	151.148670	135.2
[M+HCOO]-	213.149611	159.2
[M+CH3COO]-	227.165261	179.5
[M+Na-2H]-	189.126076	143.2
[M]+	168.15086142	137.6
[M]-	168.15195858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe