CID 15316515

3,3'-azoxytoluene

Structural Information

Molecular Formula
C14H15N2O
SMILES
CC1=CC(=CC=C1)N[N+](=O)C2=CC=CC(=C2)C
InChI
InChI=1S/C14H15N2O/c1-11-5-3-7-13(9-11)15-16(17)14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H,15,17)/q+1
InChIKey
XICZWOKYPFMTAM-UHFFFAOYSA-N
Compound name
(3-methylanilino)-(3-methylphenyl)-oxoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.11844 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12572 151.3
[M+Na]+ 250.10766 158.2
[M-H]- 226.11116 160.0
[M+NH4]+ 245.15226 169.1
[M+K]+ 266.08160 150.1
[M+H-H2O]+ 210.11570 146.2
[M+HCOO]- 272.11664 178.3
[M+CH3COO]- 286.13229 191.8
[M+Na-2H]- 248.09311 160.0
[M]+ 227.11789 150.5
[M]- 227.11899 150.5
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.