CID 105682

79313-21-6

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

COCCCOCCCOCC=C

InChI

InChI=1S/C10H20O3/c1-3-6-12-9-5-10-13-8-4-7-11-2/h3H,1,4-10H2,2H3

InChIKey

SUYJKSCZQUDNKH-UHFFFAOYSA-N

Compound name

1-methoxy-3-(3-prop-2-enoxypropoxy)propane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 188.14125 Da
Monoisotopic Mass: 1.1
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]+	189.148526	144.4
[M+Na]+	211.130468	150.2
[M-H]-	187.133974	143.9
[M+NH4]+	206.175073	164.3
[M+K]+	227.104408	149.8
[M+H-H2O]+	171.138510	138.9
[M+HCOO]-	233.139451	167.9
[M+CH3COO]-	247.155101	184.4
[M+Na-2H]-	209.115916	149.5
[M]+	188.14070142	151.0
[M]-	188.14179858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.