CID 23731

Phosphonic acid, ethyl-, monoethyl ester

Structural Information

Molecular Formula

C₄H₁₁O₃P

SMILES

CCOP(=O)(CC)O

InChI

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

InChIKey

YJCXKNNURGCXFQ-UHFFFAOYSA-N

Compound name

ethoxy(ethyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 804
Patents: 138.04459 Da
Monoisotopic Mass: -0.3
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]+	139.051866	129.9
[M+Na]+	161.033808	137.8
[M-H]-	137.037314	128.1
[M+NH4]+	156.078413	151.8
[M+K]+	177.007748	138.1
[M+H-H2O]+	121.041850	124.0
[M+HCOO]-	183.042791	157.3
[M+CH3COO]-	197.058441	170.8
[M+Na-2H]-	159.019256	134.6
[M]+	138.04404142	133.4
[M]-	138.04513858	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe