CID 617233

Allyltetramethoxybenzene

Structural Information

Molecular Formula

C₁₃H₁₈O₄

SMILES

COC1=C(C(=C(C(=C1)CC=C)OC)OC)OC

InChI

InChI=1S/C13H18O4/c1-6-7-9-8-10(14-2)12(16-4)13(17-5)11(9)15-3/h6,8H,1,7H2,2-5H3

InChIKey

HRAXJWRHSUTMCS-UHFFFAOYSA-N

Compound name

1,2,3,4-tetramethoxy-5-prop-2-enylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 16
Patents: 238.12051 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]+	239.12779	150.6
[M+Na]+	261.10973	160.1
[M-H]-	237.11323	154.9
[M+NH4]+	256.15433	169.3
[M+K]+	277.08367	159.0
[M+H-H2O]+	221.11777	144.5
[M+HCOO]-	283.11871	174.9
[M+CH3COO]-	297.13436	195.4
[M+Na-2H]-	259.09518	154.1
[M]+	238.11996	158.7
[M]-	238.12106	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe