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: 123
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]+	255.08632	153.6
[M+Na]+	277.06826	163.6
[M+NH4]+	272.11286	159.0
[M+K]+	293.04220	160.6
[M-H]-	253.07176	152.7
[M+Na-2H]-	275.05371	157.4
[M]+	254.07849	154.4
[M]-	254.07959	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe