CID 77894

1,2-diallyloxybenzene

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

C=CCOC1=CC=CC=C1OCC=C

InChI

InChI=1S/C12H14O2/c1-3-9-13-11-7-5-6-8-12(11)14-10-4-2/h3-8H,1-2,9-10H2

InChIKey

GZWLFCGQNCRLIN-UHFFFAOYSA-N

Compound name

1,2-bis(prop-2-enoxy)benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 169
Patents: 190.09938 Da
Monoisotopic Mass: 2.9
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]+	191.10666	140.7
[M+Na]+	213.08860	148.4
[M-H]-	189.09210	144.2
[M+NH4]+	208.13320	160.5
[M+K]+	229.06254	145.6
[M+H-H2O]+	173.09664	134.7
[M+HCOO]-	235.09758	165.2
[M+CH3COO]-	249.11323	183.8
[M+Na-2H]-	211.07405	146.8
[M]+	190.09883	143.7
[M]-	190.09993	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe