CID 206038

Pentanenitrile, 2,2'-azobis(2-methyl-

Structural Information

Molecular Formula
C12H20N4
SMILES
CCCC(C)(C#N)N=NC(C)(CCC)C#N
InChI
InChI=1S/C12H20N4/c1-5-7-11(3,9-13)15-16-12(4,10-14)8-6-2/h5-8H2,1-4H3
InChIKey
ODKBBGGUUMCXFY-UHFFFAOYSA-N
Compound name
2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1515
Patents

220.1688 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.17608 165.5
[M+Na]+ 243.15802 172.1
[M-H]- 219.16152 168.8
[M+NH4]+ 238.20262 178.0
[M+K]+ 259.13196 172.4
[M+H-H2O]+ 203.16606 150.3
[M+HCOO]- 265.16700 178.2
[M+CH3COO]- 279.18265 227.6
[M+Na-2H]- 241.14347 168.1
[M]+ 220.16825 159.6
[M]- 220.16935 159.6
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