CID 580184

20039-33-2

Structural Information

Molecular Formula

C₅H₁₀NO₄P

SMILES

CCOP(=O)(N=C=O)OCC

InChI

InChI=1S/C5H10NO4P/c1-3-9-11(8,6-5-7)10-4-2/h3-4H2,1-2H3

InChIKey

BSCBJDQIQBYMBT-UHFFFAOYSA-N

Compound name

1-[ethoxy(isocyanato)phosphoryl]oxyethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 76
Patents: 179.03474 Da
Monoisotopic Mass: 1.3
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]+	180.04202	136.6
[M+Na]+	202.02396	144.8
[M+NH4]+	197.06856	142.1
[M+K]+	217.99790	141.3
[M-H]-	178.02746	134.1
[M+Na-2H]-	200.00941	139.0
[M]+	179.03419	136.5
[M]-	179.03529	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe