CID 103825

53767-86-5

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CC(CCCC(C)(C)OC)C=C

InChI

InChI=1S/C11H22O/c1-6-10(2)8-7-9-11(3,4)12-5/h6,10H,1,7-9H2,2-5H3

InChIKey

WKBYNERMZLXALA-UHFFFAOYSA-N

Compound name

7-methoxy-3,7-dimethyloct-1-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 31
Patents: 170.16707 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]+	171.174346	142.9
[M+Na]+	193.156288	148.7
[M-H]-	169.159794	142.9
[M+NH4]+	188.200893	163.8
[M+K]+	209.130228	148.0
[M+H-H2O]+	153.164330	138.6
[M+HCOO]-	215.165271	163.1
[M+CH3COO]-	229.180921	184.6
[M+Na-2H]-	191.141736	146.9
[M]+	170.16652142	145.8
[M]-	170.16761858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe