CID 98244

35051-49-1

Structural Information

Molecular Formula

C₁₁H₂₃O₅P

SMILES

CCCC(C(=O)OCC)P(=O)(OCC)OCC

InChI

InChI=1S/C11H23O5P/c1-5-9-10(11(12)14-6-2)17(13,15-7-3)16-8-4/h10H,5-9H2,1-4H3

InChIKey

BUPVIVDUPRDDFI-UHFFFAOYSA-N

Compound name

ethyl 2-diethoxyphosphorylpentanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 83
Patents: 266.1283 Da
Monoisotopic Mass: 1.8
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]+	267.13558	164.9
[M+Na]+	289.11752	170.1
[M-H]-	265.12102	163.5
[M+NH4]+	284.16212	182.2
[M+K]+	305.09146	171.0
[M+H-H2O]+	249.12556	157.4
[M+HCOO]-	311.12650	190.4
[M+CH3COO]-	325.14215	198.7
[M+Na-2H]-	287.10297	164.6
[M]+	266.12775	174.0
[M]-	266.12885	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe