CID 3040615

Methylphenylphosphoramidic acid diethyl ester

Structural Information

Molecular Formula

C₁₁H₁₈NO₃P

SMILES

CCOP(=O)(N(C)C1=CC=CC=C1)OCC

InChI

InChI=1S/C11H18NO3P/c1-4-14-16(13,15-5-2)12(3)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3

InChIKey

BWXYXRLYYLXUNV-UHFFFAOYSA-N

Compound name

N-diethoxyphosphoryl-N-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 243.10243 Da
Monoisotopic Mass: 2.2
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]+	244.10971	155.0
[M+Na]+	266.09165	165.0
[M+NH4]+	261.13625	161.9
[M+K]+	282.06559	160.1
[M-H]-	242.09515	156.1
[M+Na-2H]-	264.07710	160.6
[M]+	243.10188	156.5
[M]-	243.10298	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe