CID 112527

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

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

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

InChI

InChI=1S/C10H20O/c1-5-9(3)7-8-10(4,11)6-2/h7-9,11H,5-6H2,1-4H3

InChIKey

PVIZQRDNHUDUSA-UHFFFAOYSA-N

Compound name

3,6-dimethyloct-4-en-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 156.15141 Da
Monoisotopic Mass: 2.8
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]+	157.158686	139.4
[M+Na]+	179.140628	145.2
[M-H]-	155.144134	138.1
[M+NH4]+	174.185233	160.2
[M+K]+	195.114568	143.8
[M+H-H2O]+	139.148670	135.5
[M+HCOO]-	201.149611	158.3
[M+CH3COO]-	215.165261	178.1
[M+Na-2H]-	177.126076	143.3
[M]+	156.15086142	139.9
[M]-	156.15195858	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe