CID 170620

42228-16-0

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

COC(C1=CC=C(C=C1)C(=O)OC)OC

InChI

InChI=1S/C11H14O4/c1-13-10(12)8-4-6-9(7-5-8)11(14-2)15-3/h4-7,11H,1-3H3

InChIKey

YUTFBICAYRWLGQ-UHFFFAOYSA-N

Compound name

methyl 4-(dimethoxymethyl)benzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 100
Patents: 210.0892 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]+	211.09648	144.6
[M+Na]+	233.07842	156.1
[M+NH4]+	228.12302	151.7
[M+K]+	249.05236	151.4
[M-H]-	209.08192	145.3
[M+Na-2H]-	231.06387	150.1
[M]+	210.08865	146.3
[M]-	210.08975	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe