CID 5354591

3,6-dimethyl-6-octen-3-ol

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CCC(C)(CC/C(=C/C)/C)O

InChI

InChI=1S/C10H20O/c1-5-9(3)7-8-10(4,11)6-2/h5,11H,6-8H2,1-4H3/b9-5+

InChIKey

AFRHFYJZKMQWQJ-WEVVVXLNSA-N

Compound name

(E)-3,6-dimethyloct-6-en-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.15141 Da
Monoisotopic Mass: 3.0
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]+	157.15869	139.4
[M+Na]+	179.14063	145.2
[M-H]-	155.14413	138.1
[M+NH4]+	174.18523	160.2
[M+K]+	195.11457	143.8
[M+H-H2O]+	139.14867	135.5
[M+HCOO]-	201.14961	158.3
[M+CH3COO]-	215.16526	178.1
[M+Na-2H]-	177.12608	143.3
[M]+	156.15086	139.9
[M]-	156.15196	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.