CID 74639

Sebaconitrile

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

C(CCCCC#N)CCCC#N

InChI

InChI=1S/C10H16N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-8H2

InChIKey

DFJYZCUIKPGCSG-UHFFFAOYSA-N

Compound name

decanedinitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 3412
Patents: 164.13135 Da
Monoisotopic Mass: 1.8
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]+	165.13863	163.2
[M+Na]+	187.12057	170.6
[M+NH4]+	182.16517	163.8
[M+K]+	203.09451	159.7
[M-H]-	163.12407	152.4
[M+Na-2H]-	185.10602	161.3
[M]+	164.13080	159.8
[M]-	164.13190	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe