CID 543323

3,7-dimethyloct-7-en-1-ol

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CC(CCCC(=C)C)CCO

InChI

InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3

InChIKey

JGQFVRIQXUFPAH-UHFFFAOYSA-N

Compound name

3,7-dimethyloct-7-en-1-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 5
References: 41667
Patents: 156.15141 Da
Monoisotopic Mass: 3.5
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	139.3
[M+Na]+	179.14063	148.4
[M+NH4]+	174.18523	146.6
[M+K]+	195.11457	142.9
[M-H]-	155.14413	138.1
[M+Na-2H]-	177.12608	141.5
[M]+	156.15086	140.0
[M]-	156.15196	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe