CID 87779

Dimethyl propylphosphonate

Structural Information

Molecular Formula

C₅H₁₃O₃P

SMILES

CCCP(=O)(OC)OC

InChI

InChI=1S/C5H13O3P/c1-4-5-9(6,7-2)8-3/h4-5H2,1-3H3

InChIKey

YWDFOLFVOVCBIU-UHFFFAOYSA-N

Compound name

1-dimethoxyphosphorylpropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1676
Patents: 152.06023 Da
Monoisotopic Mass: 0.4
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]+	153.06751	133.3
[M+Na]+	175.04945	141.3
[M-H]-	151.05295	132.8
[M+NH4]+	170.09405	155.4
[M+K]+	191.02339	142.3
[M+H-H2O]+	135.05749	127.1
[M+HCOO]-	197.05843	162.0
[M+CH3COO]-	211.07408	176.6
[M+Na-2H]-	173.03490	138.1
[M]+	152.05968	139.2
[M]-	152.06078	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe