CID 2773681

50917-73-2

Structural Information

Molecular Formula

C₁₂H₁₈NO₃P

SMILES

CCOP(=O)(CN=CC1=CC=CC=C1)OCC

InChI

InChI=1S/C12H18NO3P/c1-3-15-17(14,16-4-2)11-13-10-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3

InChIKey

REXOGTNRQYAOQG-UHFFFAOYSA-N

Compound name

N-(diethoxyphosphorylmethyl)-1-phenylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 255.10243 Da
Monoisotopic Mass: 1.6
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]+	256.10971	159.7
[M+Na]+	278.09165	165.7
[M-H]-	254.09515	163.0
[M+NH4]+	273.13625	177.5
[M+K]+	294.06559	164.5
[M+H-H2O]+	238.09969	150.4
[M+HCOO]-	300.10063	190.4
[M+CH3COO]-	314.11628	198.9
[M+Na-2H]-	276.07710	164.0
[M]+	255.10188	165.6
[M]-	255.10298	165.6

Literature stripe

literature stripe

Patent stripe

patents stripe