CID 3035694

Dicyclopropyloketoxime diethylphosphoric acid ester

Structural Information

Molecular Formula

C₁₁H₂₀NO₄P

SMILES

CCOP(=O)(OCC)ON=C(C1CC1)C2CC2

InChI

InChI=1S/C11H20NO4P/c1-3-14-17(13,15-4-2)16-12-11(9-5-6-9)10-7-8-10/h9-10H,3-8H2,1-2H3

InChIKey

NHURCWNOSBBLTG-UHFFFAOYSA-N

Compound name

(dicyclopropylmethylideneamino) diethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 261.113 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]+	262.12028	168.8
[M+Na]+	284.10222	174.4
[M-H]-	260.10572	175.5
[M+NH4]+	279.14682	175.4
[M+K]+	300.07616	173.2
[M+H-H2O]+	244.11026	160.7
[M+HCOO]-	306.11120	193.5
[M+CH3COO]-	320.12685	209.7
[M+Na-2H]-	282.08767	169.1
[M]+	261.11245	177.8
[M]-	261.11355	177.8

Literature stripe

literature stripe

Patent stripe

patents stripe