CID 74039

Tris(2-cyanoethyl)phosphine oxide

Structural Information

Molecular Formula

C₉H₁₂N₃OP

SMILES

C(CP(=O)(CCC#N)CCC#N)C#N

InChI

InChI=1S/C9H12N3OP/c10-4-1-7-14(13,8-2-5-11)9-3-6-12/h1-3,7-9H2

InChIKey

ILFYYSUCZQEGOL-UHFFFAOYSA-N

Compound name

3-[bis(2-cyanoethyl)phosphoryl]propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 247
Patents: 209.0718 Da
Monoisotopic Mass: -1.6
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]+	210.07908	195.7
[M+Na]+	232.06102	199.4
[M+NH4]+	227.10562	193.7
[M+K]+	248.03496	190.7
[M-H]-	208.06452	185.5
[M+Na-2H]-	230.04647	191.0
[M]+	209.07125	192.2
[M]-	209.07235	192.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe