CID 77501

3891-33-6

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

C=COCCCCOC=C

InChI

InChI=1S/C8H14O2/c1-3-9-7-5-6-8-10-4-2/h3-4H,1-2,5-8H2

InChIKey

MWZJGRDWJVHRDV-UHFFFAOYSA-N

Compound name

1,4-bis(ethenoxy)butane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 16789
Patents: 142.09938 Da
Monoisotopic Mass: 2.1
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]+	143.10666	131.5
[M+Na]+	165.08860	141.9
[M+NH4]+	160.13320	139.0
[M+K]+	181.06254	135.3
[M-H]-	141.09210	130.6
[M+Na-2H]-	163.07405	135.1
[M]+	142.09883	132.5
[M]-	142.09993	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe