CID 33151

25724-33-8

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C=CC1CCC(OC1)C=C

InChI

InChI=1S/C9H14O/c1-3-8-5-6-9(4-2)10-7-8/h3-4,8-9H,1-2,5-7H2

InChIKey

JRUPYIDCDOLUPI-UHFFFAOYSA-N

Compound name

2,5-bis(ethenyl)oxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 138.10446 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]+	139.111736	129.2
[M+Na]+	161.093678	135.1
[M-H]-	137.097184	132.8
[M+NH4]+	156.138283	149.6
[M+K]+	177.067618	134.3
[M+H-H2O]+	121.101720	124.1
[M+HCOO]-	183.102661	149.1
[M+CH3COO]-	197.118311	173.8
[M+Na-2H]-	159.079126	134.9
[M]+	138.10391142	125.8
[M]-	138.10500858	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe