CID 2773685

27784-76-5

Structural Information

Molecular Formula

C₁₀H₂₁O₅P

SMILES

CCOP(=O)(CC(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C10H21O5P/c1-6-13-16(12,14-7-2)8-9(11)15-10(3,4)5/h6-8H2,1-5H3

InChIKey

NFEGNISFSSLEGU-UHFFFAOYSA-N

Compound name

tert-butyl 2-diethoxyphosphorylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1734
Patents: 252.11266 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]+	253.11994	160.1
[M+Na]+	275.10188	166.4
[M-H]-	251.10538	159.2
[M+NH4]+	270.14648	178.2
[M+K]+	291.07582	167.6
[M+H-H2O]+	235.10992	153.4
[M+HCOO]-	297.11086	185.3
[M+CH3COO]-	311.12651	194.6
[M+Na-2H]-	273.08733	162.8
[M]+	252.11211	168.8
[M]-	252.11321	168.8

Literature stripe

literature stripe

Patent stripe

patents stripe