CID 6453657

Heptanenitrile, 2,2'-azobis(2-methyl-

Structural Information

Molecular Formula
C16H28N4
SMILES
CCCCCC(C)(C#N)N=NC(C)(CCCCC)C#N
InChI
InChI=1S/C16H28N4/c1-5-7-9-11-15(3,13-17)19-20-16(4,14-18)12-10-8-6-2/h5-12H2,1-4H3
InChIKey
YPOBABYXHVGKRT-UHFFFAOYSA-N
Compound name
2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

276.23138 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.23866 175.8
[M+Na]+ 299.22060 181.5
[M-H]- 275.22410 178.7
[M+NH4]+ 294.26520 186.9
[M+K]+ 315.19454 181.1
[M+H-H2O]+ 259.22864 160.2
[M+HCOO]- 321.22958 187.8
[M+CH3COO]- 335.24523 235.3
[M+Na-2H]- 297.20605 177.3
[M]+ 276.23083 171.0
[M]- 276.23193 171.0
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