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: 17681
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	130.7
[M+Na]+	165.08860	137.7
[M-H]-	141.09210	130.7
[M+NH4]+	160.13320	152.4
[M+K]+	181.06254	136.7
[M+H-H2O]+	125.09664	125.9
[M+HCOO]-	187.09758	154.7
[M+CH3COO]-	201.11323	175.4
[M+Na-2H]-	163.07405	136.9
[M]+	142.09883	134.3
[M]-	142.09993	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe