CID 109231

3-methyl-6-methyleneoctan-3-ol

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

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

InChI

InChI=1S/C10H20O/c1-5-9(3)7-8-10(4,11)6-2/h11H,3,5-8H2,1-2,4H3

InChIKey

CZBZCHPXBPHOSA-UHFFFAOYSA-N

Compound name

3-methyl-6-methylideneoctan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.15141 Da
Monoisotopic Mass: 3.2
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	139.0
[M+Na]+	179.14063	148.2
[M+NH4]+	174.18523	146.3
[M+K]+	195.11457	143.1
[M-H]-	155.14413	137.4
[M+Na-2H]-	177.12608	141.5
[M]+	156.15086	139.7
[M]-	156.15196	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.