CID 78301

Dodecanedinitrile

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

C(CCCCCC#N)CCCCC#N

InChI

InChI=1S/C12H20N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-10H2

InChIKey

AVQYXBDAZWIFTO-UHFFFAOYSA-N

Compound name

dodecanedinitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1687
Patents: 192.16264 Da
Monoisotopic Mass: 2.8
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]+	193.169916	149.0
[M+Na]+	215.151858	156.6
[M-H]-	191.155364	150.8
[M+NH4]+	210.196463	162.2
[M+K]+	231.125798	154.5
[M+H-H2O]+	175.159900	134.5
[M+HCOO]-	237.160841	161.2
[M+CH3COO]-	251.176491	218.5
[M+Na-2H]-	213.137306	151.5
[M]+	192.16209142	143.6
[M]-	192.16318858	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe