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

11
Patents

278.21066 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.21794 179.8
[M+Na]+ 301.19988 185.3
[M-H]- 277.20338 183.0
[M+NH4]+ 296.24448 190.6
[M+K]+ 317.17382 186.5
[M+H-H2O]+ 261.20792 164.6
[M+HCOO]- 323.20886 190.3
[M+CH3COO]- 337.22451 235.3
[M+Na-2H]- 299.18533 180.9
[M]+ 278.21011 174.6
[M]- 278.21121 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