CID 636750

Gamma-asarone

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

COC1=CC(=C(C=C1CC=C)OC)OC

InChI

InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H3

InChIKey

AUNAUZZQBAIQFJ-UHFFFAOYSA-N

Compound name

1,2,4-trimethoxy-5-prop-2-enylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 311
References: 191
Patents: 208.10994 Da
Monoisotopic Mass: 3.1
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]+	209.11722	145.2
[M+Na]+	231.09916	158.4
[M+NH4]+	226.14376	153.0
[M+K]+	247.07310	151.7
[M-H]-	207.10266	146.9
[M+Na-2H]-	229.08461	151.1
[M]+	208.10939	147.5
[M]-	208.11049	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe