CID 88358

Diethyl 4-aminobenzylphosphonate

Structural Information

Molecular Formula

C₁₁H₁₈NO₃P

SMILES

CCOP(=O)(CC1=CC=C(C=C1)N)OCC

InChI

InChI=1S/C11H18NO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9,12H2,1-2H3

InChIKey

ZVAYUUUQOCPZCZ-UHFFFAOYSA-N

Compound name

4-(diethoxyphosphorylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 677
Patents: 243.10243 Da
Monoisotopic Mass: 1.0
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	155.5
[M+Na]+	266.09165	165.4
[M+NH4]+	261.13625	162.0
[M+K]+	282.06559	160.4
[M-H]-	242.09515	156.1
[M+Na-2H]-	264.07710	160.1
[M]+	243.10188	156.8
[M]-	243.10298	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe