CID 202353

Selenophos

Structural Information

Molecular Formula

C₁₀H₂₄NO₂PSe

SMILES

CCN(CC)CC[Se]P(=O)(CC)OCC

InChI

InChI=1S/C10H24NO2PSe/c1-5-11(6-2)9-10-15-14(12,8-4)13-7-3/h5-10H2,1-4H3

InChIKey

QNGZOSUHNXJPIY-UHFFFAOYSA-N

Compound name

2-[ethoxy(ethyl)phosphoryl]selanyl-N,N-diethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 301.07098 Da
Monoisotopic Mass: None
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]+	302.07826	175.3
[M+Na]+	324.06020	179.6
[M-H]-	300.06370	174.6
[M+NH4]+	319.10480	193.8
[M+K]+	340.03414	179.5
[M+H-H2O]+	284.06824	166.7
[M+HCOO]-	346.06918	202.5
[M+CH3COO]-	360.08483	203.4
[M+Na-2H]-	322.04565	174.9
[M]+	301.07043	182.5
[M]-	301.07153	182.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe