CID 74528

1794-24-7

Structural Information

Molecular Formula

C₈H₂₀ClN₂OP

SMILES

CCN(CC)P(=O)(N(CC)CC)Cl

InChI

InChI=1S/C8H20ClN2OP/c1-5-10(6-2)13(9,12)11(7-3)8-4/h5-8H2,1-4H3

InChIKey

HKKBJRUSFKTHSU-UHFFFAOYSA-N

Compound name

N-[chloro(diethylamino)phosphoryl]-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 226.10017 Da
Monoisotopic Mass: 2.3
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]+	227.10745	154.1
[M+Na]+	249.08939	160.3
[M-H]-	225.09289	156.0
[M+NH4]+	244.13399	174.8
[M+K]+	265.06333	159.9
[M+H-H2O]+	209.09743	147.2
[M+HCOO]-	271.09837	179.8
[M+CH3COO]-	285.11402	202.1
[M+Na-2H]-	247.07484	155.7
[M]+	226.09962	161.0
[M]-	226.10072	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe