CID 18913437

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

Structural Information

Molecular Formula
C11H18N4
SMILES
CCCC(C)(C#N)N=NC(C)(CC)C#N
InChI
InChI=1S/C11H18N4/c1-5-7-11(4,9-13)15-14-10(3,6-2)8-12/h5-7H2,1-4H3
InChIKey
SJLBDNZUZIGHNK-UHFFFAOYSA-N
Compound name
2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

52
Patents

206.15315 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.16043 162.9
[M+Na]+ 229.14237 169.8
[M-H]- 205.14587 166.3
[M+NH4]+ 224.18697 175.7
[M+K]+ 245.11631 170.2
[M+H-H2O]+ 189.15041 147.8
[M+HCOO]- 251.15135 175.8
[M+CH3COO]- 265.16700 225.7
[M+Na-2H]- 227.12782 165.8
[M]+ 206.15260 156.7
[M]- 206.15370 156.7
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