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

30490
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

literature stripe

Patent stripe

patents stripe