CID 66584171

1-cyclohexene-1-butanol, gamma-methyl-

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CC(CCO)CC1=CCCCC1

InChI

InChI=1S/C11H20O/c1-10(7-8-12)9-11-5-3-2-4-6-11/h5,10,12H,2-4,6-9H2,1H3

InChIKey

IOGBYRZHTZYOQL-UHFFFAOYSA-N

Compound name

4-(cyclohexen-1-yl)-3-methylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 168.15141 Da
Monoisotopic Mass: 2.7
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	141.3
[M+Na]+	191.140628	145.0
[M-H]-	167.144134	142.4
[M+NH4]+	186.185233	160.9
[M+K]+	207.114568	143.2
[M+H-H2O]+	151.148670	135.6
[M+HCOO]-	213.149611	160.0
[M+CH3COO]-	227.165261	178.3
[M+Na-2H]-	189.126076	144.6
[M]+	168.15086142	137.9
[M]-	168.15195858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe