CID 3020401

3,6-dimethyl-3-vinylhept-5-en-2-ol

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

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

InChI

InChI=1S/C11H20O/c1-6-11(5,10(4)12)8-7-9(2)3/h6-7,10,12H,1,8H2,2-5H3

InChIKey

VLWIAHOZUQCLJS-UHFFFAOYSA-N

Compound name

3-ethenyl-3,6-dimethylhept-5-en-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 197
Patents: 168.15141 Da
Monoisotopic Mass: 3.4
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]+	169.158686	141.9
[M+Na]+	191.140628	147.4
[M-H]-	167.144134	140.6
[M+NH4]+	186.185233	162.0
[M+K]+	207.114568	145.6
[M+H-H2O]+	151.148670	138.0
[M+HCOO]-	213.149611	159.8
[M+CH3COO]-	227.165261	181.1
[M+Na-2H]-	189.126076	144.2
[M]+	168.15086142	141.4
[M]-	168.15195858	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe