CID 77639

Tris(2-cyanoethyl)phosphine

Structural Information

Molecular Formula

C₉H₁₂N₃P

SMILES

C(CP(CCC#N)CCC#N)C#N

InChI

InChI=1S/C9H12N3P/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-3,7-9H2

InChIKey

CHZAMJVESILJGH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 1444
Patents: 193.07689 Da
Monoisotopic Mass: -1.0
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]+	194.084166	151.7
[M+Na]+	216.066108	158.4
[M-H]-	192.069614	154.9
[M+NH4]+	211.110713	160.0
[M+K]+	232.040048	157.1
[M+H-H2O]+	176.074150	138.7
[M+HCOO]-	238.075091	159.5
[M+CH3COO]-	252.090741	235.8
[M+Na-2H]-	214.051556	150.8
[M]+	193.07634142	145.7
[M]-	193.07743858	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe