CID 120568

Dtxsid40938934

Structural Information

Molecular Formula

C₁₀H₁₄NO₃P

SMILES

CCCNP1(=O)OCC2=CC=CC=C2O1

InChI

InChI=1S/C10H14NO3P/c1-2-7-11-15(12)13-8-9-5-3-4-6-10(9)14-15/h3-6H,2,7-8H2,1H3,(H,11,12)

InChIKey

KTEZHSYGEGIZSM-UHFFFAOYSA-N

Compound name

2-oxo-N-propyl-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.07114 Da
Monoisotopic Mass: 1.5
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]+	228.078416	150.4
[M+Na]+	250.060358	157.4
[M-H]-	226.063864	154.7
[M+NH4]+	245.104963	169.0
[M+K]+	266.034298	157.9
[M+H-H2O]+	210.068400	141.8
[M+HCOO]-	272.069341	176.5
[M+CH3COO]-	286.084991	190.6
[M+Na-2H]-	248.045806	157.4
[M]+	227.07059142	152.4
[M]-	227.07168858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.