CID 116437

Phosphoric acid, 2-(diethylamino)ethyl diethyl ester, oxalate

Structural Information

Molecular Formula

C₈H₂₀NO₄P

SMILES

CCOP(=O)(OCC)OCCN(C)C

InChI

InChI=1S/C8H20NO4P/c1-5-11-14(10,12-6-2)13-8-7-9(3)4/h5-8H2,1-4H3

InChIKey

KCJWSPAGPQAMAD-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl diethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.11299 Da
Monoisotopic Mass: 0.3
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]+	226.120266	153.0
[M+Na]+	248.102208	158.8
[M-H]-	224.105714	153.2
[M+NH4]+	243.146813	172.3
[M+K]+	264.076148	160.8
[M+H-H2O]+	208.110250	145.1
[M+HCOO]-	270.111191	182.4
[M+CH3COO]-	284.126841	196.0
[M+Na-2H]-	246.087656	155.9
[M]+	225.11244142	161.8
[M]-	225.11353858	161.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.