CID 15834352

80822-82-8

Structural Information

Molecular Formula

C₁₄H₂₄N₂

SMILES

CC(C)CC(C)(C#N)C(C)(CC(C)C)C#N

InChI

InChI=1S/C14H24N2/c1-11(2)7-13(5,9-15)14(6,10-16)8-12(3)4/h11-12H,7-8H2,1-6H3

InChIKey

ZSQZMKLXZYSHCK-UHFFFAOYSA-N

Compound name

2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 458
Patents: 220.19395 Da
Monoisotopic Mass: 3.8
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]+	221.201226	167.4
[M+Na]+	243.183168	174.2
[M-H]-	219.186674	169.5
[M+NH4]+	238.227773	179.7
[M+K]+	259.157108	173.4
[M+H-H2O]+	203.191210	153.3
[M+HCOO]-	265.192151	175.6
[M+CH3COO]-	279.207801	223.8
[M+Na-2H]-	241.168616	167.1
[M]+	220.19340142	160.5
[M]-	220.19449858	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe