CID 109270

68298-28-2

Structural Information

Molecular Formula

C₁₆H₃₂O₃

SMILES

CCOC(COCCC(C)CCC=C(C)C)OCC

InChI

InChI=1S/C16H32O3/c1-6-18-16(19-7-2)13-17-12-11-15(5)10-8-9-14(3)4/h9,15-16H,6-8,10-13H2,1-5H3

InChIKey

NELFLEJGHKZFQI-UHFFFAOYSA-N

Compound name

8-(2,2-diethoxyethoxy)-2,6-dimethyloct-2-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 272.23514 Da
Monoisotopic Mass: 4.3
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]+	273.242416	173.9
[M+Na]+	295.224358	176.7
[M-H]-	271.227864	172.6
[M+NH4]+	290.268963	190.3
[M+K]+	311.198298	176.0
[M+H-H2O]+	255.232400	167.5
[M+HCOO]-	317.233341	192.3
[M+CH3COO]-	331.248991	204.0
[M+Na-2H]-	293.209806	171.8
[M]+	272.23459142	180.6
[M]-	272.23568858	180.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe