CID 8344

Dimethoxyethyl phthalate

Structural Information

Molecular Formula

C₁₄H₁₈O₆

SMILES

COCCOC(=O)C1=CC=CC=C1C(=O)OCCOC

InChI

InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3

InChIKey

HSUIVCLOAAJSRE-UHFFFAOYSA-N

Compound name

bis(2-methoxyethyl) benzene-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 12
References: 9589
Patents: 282.11035 Da
Monoisotopic Mass: 1.4
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]+	283.117626	162.4
[M+Na]+	305.099568	168.3
[M-H]-	281.103074	165.6
[M+NH4]+	300.144173	178.1
[M+K]+	321.073508	168.4
[M+H-H2O]+	265.107610	155.1
[M+HCOO]-	327.108551	185.0
[M+CH3COO]-	341.124201	198.4
[M+Na-2H]-	303.085016	165.0
[M]+	282.10980142	170.4
[M]-	282.11089858	170.4

Literature stripe

literature stripe

Patent stripe

patents stripe