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

1290
Patents

220.1688 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.176076 165.5
[M+Na]+ 243.158018 172.1
[M-H]- 219.161524 168.8
[M+NH4]+ 238.202623 178.0
[M+K]+ 259.131958 172.4
[M+H-H2O]+ 203.166060 150.3
[M+HCOO]- 265.167001 178.2
[M+CH3COO]- 279.182651 227.6
[M+Na-2H]- 241.143466 168.1
[M]+ 220.16825142 159.6
[M]- 220.16934858 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