CID 137945426

1-(3-aminophenyl)phospholane 1-oxide

Structural Information

Molecular Formula

C₁₀H₁₄NOP

SMILES

C1CCP(=O)(C1)C2=CC=CC(=C2)N

InChI

InChI=1S/C10H14NOP/c11-9-4-3-5-10(8-9)13(12)6-1-2-7-13/h3-5,8H,1-2,6-7,11H2

InChIKey

LMWADDDRYIVACL-UHFFFAOYSA-N

Compound name

3-(1-oxo-1lambda5-phospholan-1-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 195.0813 Da
Monoisotopic Mass: 0.7
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]+	196.08858	141.6
[M+Na]+	218.07052	148.4
[M-H]-	194.07402	146.7
[M+NH4]+	213.11512	164.5
[M+K]+	234.04446	145.6
[M+H-H2O]+	178.07856	133.5
[M+HCOO]-	240.07950	171.1
[M+CH3COO]-	254.09515	183.6
[M+Na-2H]-	216.05597	143.1
[M]+	195.08075	138.1
[M]-	195.08185	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe