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

63
Patents

206.15315 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.160426 162.9
[M+Na]+ 229.142368 169.8
[M-H]- 205.145874 166.3
[M+NH4]+ 224.186973 175.7
[M+K]+ 245.116308 170.2
[M+H-H2O]+ 189.150410 147.8
[M+HCOO]- 251.151351 175.8
[M+CH3COO]- 265.167001 225.7
[M+Na-2H]- 227.127816 165.8
[M]+ 206.15260142 156.7
[M]- 206.15369858 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