CID 107063

68039-31-6

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CC(COCC=C)OCC(C)OC

InChI

InChI=1S/C10H20O3/c1-5-6-12-7-10(3)13-8-9(2)11-4/h5,9-10H,1,6-8H2,2-4H3

InChIKey

ZSHQZORCSTVWLF-UHFFFAOYSA-N

Compound name

2-(2-methoxypropoxy)-1-prop-2-enoxypropane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 15
Patents: 188.14125 Da
Monoisotopic Mass: 1.3
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]+	189.148526	145.4
[M+Na]+	211.130468	150.9
[M-H]-	187.133974	145.2
[M+NH4]+	206.175073	165.2
[M+K]+	227.104408	151.3
[M+H-H2O]+	171.138510	140.1
[M+HCOO]-	233.139451	166.9
[M+CH3COO]-	247.155101	186.0
[M+Na-2H]-	209.115916	147.9
[M]+	188.14070142	150.7
[M]-	188.14179858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe