CID 4372780

26199-74-6

Structural Information

Molecular Formula

C₁₁H₁₉O₅P

SMILES

CCOC(=O)C(CC#C)P(=O)(OCC)OCC

InChI

InChI=1S/C11H19O5P/c1-5-9-10(11(12)14-6-2)17(13,15-7-3)16-8-4/h1,10H,6-9H2,2-4H3

InChIKey

BQKSHEFROALUGV-UHFFFAOYSA-N

Compound name

ethyl 2-diethoxyphosphorylpent-4-ynoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 262.09702 Da
Monoisotopic Mass: 1.1
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]+	263.10430	153.4
[M+Na]+	285.08624	161.0
[M-H]-	261.08974	151.8
[M+NH4]+	280.13084	168.9
[M+K]+	301.06018	161.0
[M+H-H2O]+	245.09428	140.5
[M+HCOO]-	307.09522	173.4
[M+CH3COO]-	321.11087	203.4
[M+Na-2H]-	283.07169	153.6
[M]+	262.09647	155.8
[M]-	262.09757	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe