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

13
Patents

234.18445 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.191726 168.1
[M+Na]+ 257.173668 174.5
[M-H]- 233.177174 171.3
[M+NH4]+ 252.218273 180.2
[M+K]+ 273.147608 174.6
[M+H-H2O]+ 217.181710 152.8
[M+HCOO]- 279.182651 180.6
[M+CH3COO]- 293.198301 229.5
[M+Na-2H]- 255.159116 170.4
[M]+ 234.18390142 162.5
[M]- 234.18499858 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