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: 142
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	134.8
[M+Na]+	202.02396	142.8
[M-H]-	178.02746	135.7
[M+NH4]+	197.06856	156.0
[M+K]+	217.99790	144.0
[M+H-H2O]+	162.03200	127.8
[M+HCOO]-	224.03294	166.7
[M+CH3COO]-	238.04859	183.5
[M+Na-2H]-	200.00941	140.7
[M]+	179.03419	141.8
[M]-	179.03529	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe