CID 14287325

91352-76-0

Structural Information

Molecular Formula

C₁₁H₁₆O₄

SMILES

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

InChI

InChI=1S/C11H16O4/c1-12-8-5-6-9(10(7-8)13-2)11(14-3)15-4/h5-7,11H,1-4H3

InChIKey

BTTYYCFULLUOIV-UHFFFAOYSA-N

Compound name

1-(dimethoxymethyl)-2,4-dimethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 137
Patents: 212.10486 Da
Monoisotopic Mass: 2.0
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]+	213.11214	144.6
[M+Na]+	235.09408	152.6
[M-H]-	211.09758	148.6
[M+NH4]+	230.13868	163.8
[M+K]+	251.06802	152.9
[M+H-H2O]+	195.10212	138.5
[M+HCOO]-	257.10306	168.4
[M+CH3COO]-	271.11871	188.6
[M+Na-2H]-	233.07953	149.2
[M]+	212.10431	151.2
[M]-	212.10541	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe