CID 2773759

57443-18-2

Structural Information

Molecular Formula

C₁₁H₁₅O₅P

SMILES

COP(=O)(CC(=O)OCC1=CC=CC=C1)OC

InChI

InChI=1S/C11H15O5P/c1-14-17(13,15-2)9-11(12)16-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

InChIKey

QYLGNJMIOVHLQQ-UHFFFAOYSA-N

Compound name

benzyl 2-dimethoxyphosphorylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 194
Patents: 258.0657 Da
Monoisotopic Mass: 0.9
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]+	259.07298	157.1
[M+Na]+	281.05492	163.5
[M-H]-	257.05842	159.3
[M+NH4]+	276.09952	174.2
[M+K]+	297.02886	163.4
[M+H-H2O]+	241.06296	148.4
[M+HCOO]-	303.06390	185.0
[M+CH3COO]-	317.07955	193.3
[M+Na-2H]-	279.04037	160.3
[M]+	258.06515	163.7
[M]-	258.06625	163.7

Literature stripe

literature stripe

Patent stripe

patents stripe