CID 201241

Phosphinic acid, diethyl-, methyl ester

Structural Information

Molecular Formula

C₅H₁₃O₂P

SMILES

CCP(=O)(CC)OC

InChI

InChI=1S/C5H13O2P/c1-4-8(6,5-2)7-3/h4-5H2,1-3H3

InChIKey

WCOICKPRQHKXDC-UHFFFAOYSA-N

Compound name

1-[ethyl(methoxy)phosphoryl]ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 283
Patents: 136.06532 Da
Monoisotopic Mass: 0.2
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]+	137.07260	130.7
[M+Na]+	159.05454	138.7
[M-H]-	135.05804	130.2
[M+NH4]+	154.09914	153.5
[M+K]+	175.02848	139.2
[M+H-H2O]+	119.06258	124.7
[M+HCOO]-	181.06352	159.1
[M+CH3COO]-	195.07917	174.6
[M+Na-2H]-	157.03999	135.3
[M]+	136.06477	135.1
[M]-	136.06587	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe