CID 6453665

Heptanenitrile, 2-((1-cyano-1-methylpropyl)azo)-2-methyl-

Structural Information

Molecular Formula
C13H22N4
SMILES
CCCCCC(C)(C#N)N=NC(C)(CC)C#N
InChI
InChI=1S/C13H22N4/c1-5-7-8-9-13(4,11-15)17-16-12(3,6-2)10-14/h5-9H2,1-4H3
InChIKey
MJPZRJSNPUHYTF-UHFFFAOYSA-N
Compound name
2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

234.18445 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.19173 168.1
[M+Na]+ 257.17367 174.5
[M-H]- 233.17717 171.3
[M+NH4]+ 252.21827 180.2
[M+K]+ 273.14761 174.6
[M+H-H2O]+ 217.18171 152.8
[M+HCOO]- 279.18265 180.6
[M+CH3COO]- 293.19830 229.5
[M+Na-2H]- 255.15912 170.4
[M]+ 234.18390 162.5
[M]- 234.18500 162.5
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