CID 108351

2-((1-cyano-1,3-dimethylbutyl)azo)-4-methoxy-2,4-dimethylpentanenitrile

Structural Information

Molecular Formula
C15H26N4O
SMILES
CC(C)CC(C)(C#N)N=NC(C)(CC(C)(C)OC)C#N
InChI
InChI=1S/C15H26N4O/c1-12(2)8-14(5,10-16)18-19-15(6,11-17)9-13(3,4)20-7/h12H,8-9H2,1-7H3
InChIKey
WWBIFSRDCXYYKG-UHFFFAOYSA-N
Compound name
2-[(2-cyano-4-methylpentan-2-yl)diazenyl]-4-methoxy-2,4-dimethylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

278.21066 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.217936 179.8
[M+Na]+ 301.199878 185.3
[M-H]- 277.203384 183.0
[M+NH4]+ 296.244483 190.6
[M+K]+ 317.173818 186.5
[M+H-H2O]+ 261.207920 164.6
[M+HCOO]- 323.208861 190.3
[M+CH3COO]- 337.224511 235.3
[M+Na-2H]- 299.185326 180.9
[M]+ 278.21011142 174.6
[M]- 278.21120858 174.6
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