CID 91537

2,2'-azobis(2,4-dimethylvaleronitrile)

Structural Information

Molecular Formula
C14H24N4
SMILES
CC(C)CC(C)(C#N)N=NC(C)(CC(C)C)C#N
InChI
InChI=1S/C14H24N4/c1-11(2)7-13(5,9-15)17-18-14(6,10-16)8-12(3)4/h11-12H,7-8H2,1-6H3
InChIKey
WYGWHHGCAGTUCH-UHFFFAOYSA-N
Compound name
2-[(2-cyano-4-methylpentan-2-yl)diazenyl]-2,4-dimethylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

118
References

96093
Patents

248.2001 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.20738 173.5
[M+Na]+ 271.18932 179.3
[M-H]- 247.19282 176.7
[M+NH4]+ 266.23392 185.2
[M+K]+ 287.16326 179.8
[M+H-H2O]+ 231.19736 158.2
[M+HCOO]- 293.19830 184.5
[M+CH3COO]- 307.21395 232.4
[M+Na-2H]- 269.17477 173.7
[M]+ 248.19955 167.2
[M]- 248.20065 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe