CID 18913437

188669-42-3

Structural Information

Molecular Formula

C₁₁H₁₈N₄

SMILES

CCCC(C)(C#N)N=NC(C)(CC)C#N

InChI

InChI=1S/C11H18N4/c1-5-7-11(4,9-13)15-14-10(3,6-2)8-12/h5-7H2,1-4H3

InChIKey

SJLBDNZUZIGHNK-UHFFFAOYSA-N

Compound name

2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 206.15315 Da
Monoisotopic Mass: 2.7
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]+	207.16043	175.9
[M+Na]+	229.14237	181.6
[M+NH4]+	224.18697	175.7
[M+K]+	245.11631	172.0
[M-H]-	205.14587	165.0
[M+Na-2H]-	227.12782	173.4
[M]+	206.15260	172.3
[M]-	206.15370	172.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe