CID 197934

Aminoparaoxon

Structural Information

Molecular Formula

C₁₀H₁₆NO₄P

SMILES

CCOP(=O)(OCC)OC1=CC=C(C=C1)N

InChI

InChI=1S/C10H16NO4P/c1-3-13-16(12,14-4-2)15-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3

InChIKey

BIZDCQFJAWUTAF-UHFFFAOYSA-N

Compound name

(4-aminophenyl) diethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 245.0817 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]+	246.08898	154.0
[M+Na]+	268.07092	163.5
[M+NH4]+	263.11552	159.9
[M+K]+	284.04486	159.3
[M-H]-	244.07442	154.0
[M+Na-2H]-	266.05637	158.4
[M]+	245.08115	155.0
[M]-	245.08225	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe