CID 29096

Dihydromyrcenol

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CC(CCCC(C)(C)O)C=C

InChI

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

InChIKey

XSNQECSCDATQEL-UHFFFAOYSA-N

Compound name

2,6-dimethyloct-7-en-2-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 11
References: 23240
Patents: 156.15141 Da
Monoisotopic Mass: 2.9
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	139.2
[M+Na]+	179.140628	145.0
[M-H]-	155.144134	137.9
[M+NH4]+	174.185233	159.9
[M+K]+	195.114568	143.5
[M+H-H2O]+	139.148670	135.3
[M+HCOO]-	201.149611	158.1
[M+CH3COO]-	215.165261	178.8
[M+Na-2H]-	177.126076	143.1
[M]+	156.15086142	139.7
[M]-	156.15195858	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe