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
2
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 170.7
[M+Na]+ 271.18932 176.8
[M-H]- 247.19282 173.8
[M+NH4]+ 266.23392 182.5
[M+K]+ 287.16326 176.8
[M+H-H2O]+ 231.19736 155.3
[M+HCOO]- 293.19830 183.0
[M+CH3COO]- 307.21395 231.4
[M+Na-2H]- 269.17477 172.7
[M]+ 248.19955 165.3
[M]- 248.20065 165.3
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