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]+ 228.125716 151.3
[M+Na]+ 250.107658 158.2
[M-H]- 226.111164 160.0
[M+NH4]+ 245.152263 169.1
[M+K]+ 266.081598 150.1
[M+H-H2O]+ 210.115700 146.2
[M+HCOO]- 272.116641 178.3
[M+CH3COO]- 286.132291 191.8
[M+Na-2H]- 248.093106 160.0
[M]+ 227.11789142 150.5
[M]- 227.11898858 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.