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: 46
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]+	196.10971	147.0
[M+Na]+	218.09165	152.9
[M-H]-	194.09515	146.0
[M+NH4]+	213.13625	166.9
[M+K]+	234.06559	153.7
[M+H-H2O]+	178.09969	139.8
[M+HCOO]-	240.10063	175.0
[M+CH3COO]-	254.11628	188.3
[M+Na-2H]-	216.07710	149.6
[M]+	195.10188	152.0
[M]-	195.10298	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe