CID 85867

2,2'-azobis(4-methoxy-2,4-dimethylvaleronitrile)

Structural Information

Molecular Formula
C16H28N4O2
SMILES
CC(C)(CC(C)(C#N)N=NC(C)(CC(C)(C)OC)C#N)OC
InChI
InChI=1S/C16H28N4O2/c1-13(2,21-7)9-15(5,11-17)19-20-16(6,12-18)10-14(3,4)22-8/h9-10H2,1-8H3
InChIKey
PFHOSZAOXCYAGJ-UHFFFAOYSA-N
Compound name
2-[(2-cyano-4-methoxy-4-methylpentan-2-yl)diazenyl]-4-methoxy-2,4-dimethylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

24872
Patents

308.22122 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.22850 185.8
[M+Na]+ 331.21044 191.1
[M-H]- 307.21394 189.0
[M+NH4]+ 326.25504 195.8
[M+K]+ 347.18438 193.0
[M+H-H2O]+ 291.21848 170.8
[M+HCOO]- 353.21942 195.8
[M+CH3COO]- 367.23507 238.3
[M+Na-2H]- 329.19589 188.1
[M]+ 308.22067 181.7
[M]- 308.22177 181.7
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

No patent data available for this compound.