CID 4622928

157141-27-0

Structural Information

Molecular Formula

C₁₄H₂₈NP

SMILES

CCCCP(=CC#N)(CCCC)CCCC

InChI

InChI=1S/C14H28NP/c1-4-7-11-16(14-10-15,12-8-5-2)13-9-6-3/h14H,4-9,11-13H2,1-3H3

InChIKey

OZMLUMPWPFZWTP-UHFFFAOYSA-N

Compound name

2-(tributyl-lambda5-phosphanylidene)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4537
Patents: 241.19594 Da
Monoisotopic Mass: 2.9
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]+	242.20322	158.3
[M+Na]+	264.18516	164.9
[M-H]-	240.18866	157.4
[M+NH4]+	259.22976	175.4
[M+K]+	280.15910	162.1
[M+H-H2O]+	224.19320	144.9
[M+HCOO]-	286.19414	180.0
[M+CH3COO]-	300.20979	209.1
[M+Na-2H]-	262.17061	159.1
[M]+	241.19539	158.1
[M]-	241.19649	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe