CID 665247

3-(diethylphosphoryl)aniline

Structural Information

Molecular Formula

C₁₀H₁₆NOP

SMILES

CCP(=O)(CC)C1=CC=CC(=C1)N

InChI

InChI=1S/C10H16NOP/c1-3-13(12,4-2)10-7-5-6-9(11)8-10/h5-8H,3-4,11H2,1-2H3

InChIKey

CTRVJASKVTVHKB-UHFFFAOYSA-N

Compound name

3-diethylphosphorylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 197.09695 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]+	198.10423	146.9
[M+Na]+	220.08617	154.2
[M-H]-	196.08967	149.0
[M+NH4]+	215.13077	166.6
[M+K]+	236.06011	151.7
[M+H-H2O]+	180.09421	139.1
[M+HCOO]-	242.09515	175.4
[M+CH3COO]-	256.11080	188.1
[M+Na-2H]-	218.07162	149.7
[M]+	197.09640	147.5
[M]-	197.09750	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe