CID 6453658

Heptanenitrile, 2-((1-cyano-1-methylbutyl)azo)-2-methyl-

Structural Information

Molecular Formula
C14H24N4
SMILES
CCCCCC(C)(C#N)N=NC(C)(CCC)C#N
InChI
InChI=1S/C14H24N4/c1-5-7-8-10-14(4,12-16)18-17-13(3,11-15)9-6-2/h5-10H2,1-4H3
InChIKey
KWFCIHNVFTVTDC-UHFFFAOYSA-N
Compound name
2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

248.2001 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.20738 184.0
[M+Na]+ 271.18932 189.4
[M+NH4]+ 266.23392 183.5
[M+K]+ 287.16326 179.3
[M-H]- 247.19282 173.0
[M+Na-2H]- 269.17477 181.1
[M]+ 248.19955 180.3
[M]- 248.20065 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe