CID 66891

1,1-bis(vinyloxy)butane

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CCCC(OC=C)OC=C

InChI

InChI=1S/C8H14O2/c1-4-7-8(9-5-2)10-6-3/h5-6,8H,2-4,7H2,1H3

InChIKey

PEIJYJCTDDBFEC-UHFFFAOYSA-N

Compound name

1,1-bis(ethenoxy)butane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4714
Patents: 142.09938 Da
Monoisotopic Mass: 2.8
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]+	143.106656	131.1
[M+Na]+	165.088598	137.9
[M-H]-	141.092104	131.2
[M+NH4]+	160.133203	152.8
[M+K]+	181.062538	137.4
[M+H-H2O]+	125.096640	126.5
[M+HCOO]-	187.097581	154.2
[M+CH3COO]-	201.113231	176.2
[M+Na-2H]-	163.074046	136.1
[M]+	142.09883142	134.1
[M]-	142.09992858	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe