CID 12967085

Dimethyl 2-(2-methoxyphenoxy)malonate

Structural Information

Molecular Formula

C₁₂H₁₄O₆

SMILES

COC1=CC=CC=C1OC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C12H14O6/c1-15-8-6-4-5-7-9(8)18-10(11(13)16-2)12(14)17-3/h4-7,10H,1-3H3

InChIKey

SBUXKADXTZOBJV-UHFFFAOYSA-N

Compound name

dimethyl 2-(2-methoxyphenoxy)propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
Patents: 254.07904 Da
Monoisotopic Mass: 1.9
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]+	255.086316	152.8
[M+Na]+	277.068258	159.4
[M-H]-	253.071764	156.5
[M+NH4]+	272.112863	169.6
[M+K]+	293.042198	160.5
[M+H-H2O]+	237.076300	146.2
[M+HCOO]-	299.077241	175.2
[M+CH3COO]-	313.092891	193.4
[M+Na-2H]-	275.053706	155.3
[M]+	254.07849142	159.5
[M]-	254.07958858	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe