CID 97156

Diethyl isopropylamidophosphate

Structural Information

Molecular Formula

C₇H₁₈NO₃P

SMILES

CCOP(=O)(NC(C)C)OCC

InChI

InChI=1S/C7H18NO3P/c1-5-10-12(9,11-6-2)8-7(3)4/h7H,5-6H2,1-4H3,(H,8,9)

InChIKey

VPWFCVRSJNVACC-UHFFFAOYSA-N

Compound name

N-diethoxyphosphorylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 195.10243 Da
Monoisotopic Mass: 0.8
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]+	196.109706	147.0
[M+Na]+	218.091648	152.9
[M-H]-	194.095154	146.0
[M+NH4]+	213.136253	166.9
[M+K]+	234.065588	153.7
[M+H-H2O]+	178.099690	139.8
[M+HCOO]-	240.100631	175.0
[M+CH3COO]-	254.116281	188.3
[M+Na-2H]-	216.077096	149.6
[M]+	195.10188142	152.0
[M]-	195.10297858	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe