CID 75140

2186-92-7

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

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

InChI

InChI=1S/C10H14O3/c1-11-9-6-4-8(5-7-9)10(12-2)13-3/h4-7,10H,1-3H3

InChIKey

NNHYAHOTXLASEA-UHFFFAOYSA-N

Compound name

1-(dimethoxymethyl)-4-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 2212
Patents: 182.0943 Da
Monoisotopic Mass: 1.5
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]+	183.10158	137.7
[M+Na]+	205.08352	145.3
[M-H]-	181.08702	141.6
[M+NH4]+	200.12812	157.9
[M+K]+	221.05746	145.3
[M+H-H2O]+	165.09156	131.8
[M+HCOO]-	227.09250	161.7
[M+CH3COO]-	241.10815	182.4
[M+Na-2H]-	203.06897	143.5
[M]+	182.09375	142.2
[M]-	182.09485	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe