CID 6547

78-67-1

Structural Information

Molecular Formula
C8H12N4
SMILES
CC(C)(C#N)N=NC(C)(C)C#N
InChI
InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3
InChIKey
OZAIFHULBGXAKX-UHFFFAOYSA-N
Compound name
2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

278
References

129207
Patents

164.1062 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.113476 155.0
[M+Na]+ 187.095418 162.6
[M-H]- 163.098924 158.7
[M+NH4]+ 182.140023 168.8
[M+K]+ 203.069358 163.6
[M+H-H2O]+ 147.103460 140.2
[M+HCOO]- 209.104401 168.4
[M+CH3COO]- 223.120051 219.8
[M+Na-2H]- 185.080866 158.7
[M]+ 164.10565142 148.1
[M]- 164.10674858 148.1
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