CID 70390

2,2'-dimethylazoxybenzene

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC1=CC=CC=C1N=[N+](C2=CC=CC=C2C)[O-]
InChI
InChI=1S/C14H14N2O/c1-11-7-3-5-9-13(11)15-16(17)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChIKey
ROMBIGIVDIQGKC-UHFFFAOYSA-N
Compound name
(2-methylphenyl)-(2-methylphenyl)imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

226.11061 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.117886 150.0
[M+Na]+ 249.099828 156.7
[M-H]- 225.103334 158.2
[M+NH4]+ 244.144433 167.8
[M+K]+ 265.073768 149.5
[M+H-H2O]+ 209.107870 146.8
[M+HCOO]- 271.108811 177.8
[M+CH3COO]- 285.124461 190.6
[M+Na-2H]- 247.085276 158.1
[M]+ 226.11006142 148.5
[M]- 226.11115858 148.5
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