CID 3041195

Propylphosphonic acid methyl ester

Structural Information

Molecular Formula

C₄H₁₁O₃P

SMILES

CCCP(=O)(O)OC

InChI

InChI=1S/C4H11O3P/c1-3-4-8(5,6)7-2/h3-4H2,1-2H3,(H,5,6)

InChIKey

RLDXWNAZJDJGCX-UHFFFAOYSA-N

Compound name

methoxy(propyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 185
Patents: 138.04459 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]+	139.05187	127.9
[M+Na]+	161.03381	136.9
[M+NH4]+	156.07841	134.5
[M+K]+	177.00775	133.4
[M-H]-	137.03731	125.2
[M+Na-2H]-	159.01926	130.4
[M]+	138.04404	128.1
[M]-	138.04514	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe