CID 3070267

Dimethyl (3-(oxiranylmethoxy)propyl)phosphonate

Structural Information

Molecular Formula

C₈H₁₇O₅P

SMILES

COP(=O)(CCCOCC1CO1)OC

InChI

InChI=1S/C8H17O5P/c1-10-14(9,11-2)5-3-4-12-6-8-7-13-8/h8H,3-7H2,1-2H3

InChIKey

IKLXPBDCWTZFQJ-UHFFFAOYSA-N

Compound name

2-(3-dimethoxyphosphorylpropoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 224.08136 Da
Monoisotopic Mass: -0.6
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]+	225.08864	153.6
[M+Na]+	247.07058	162.0
[M-H]-	223.07408	157.5
[M+NH4]+	242.11518	166.5
[M+K]+	263.04452	162.4
[M+H-H2O]+	207.07862	145.1
[M+HCOO]-	269.07956	180.5
[M+CH3COO]-	283.09521	191.1
[M+Na-2H]-	245.05603	158.3
[M]+	224.08081	164.8
[M]-	224.08191	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe