CID 6051545

41744-27-8

Structural Information

Molecular Formula

C₁₉H₁₆O₃

SMILES

C/C=C/C1=CC2=C(C=C1)OC(=C2C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16O3/c1-3-4-13-5-7-16-15(9-13)12(2)19(22-16)14-6-8-17-18(10-14)21-11-20-17/h3-10H,11H2,1-2H3/b4-3+

InChIKey

SFFQJYFGYNAPSW-ONEGZZNKSA-N

Compound name

5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 292.10995 Da
Monoisotopic Mass: 5.2
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]+	293.117226	166.8
[M+Na]+	315.099168	178.4
[M-H]-	291.102674	178.6
[M+NH4]+	310.143773	184.7
[M+K]+	331.073108	176.4
[M+H-H2O]+	275.107210	162.2
[M+HCOO]-	337.108151	188.6
[M+CH3COO]-	351.123801	181.1
[M+Na-2H]-	313.084616	171.4
[M]+	292.10940142	173.8
[M]-	292.11049858	173.8

Literature stripe

literature stripe

Patent stripe

patents stripe