CID 83541

32445-12-8

Structural Information

Molecular Formula

C₁₃H₁₂N₃O

SMILES

COC1=C(C=CC(=C1)NC2=CC=CC=C2)[N+]#N

InChI

InChI=1S/C13H12N3O/c1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10/h2-9,15H,1H3/q+1

InChIKey

LMVXMJUMQJUKDF-UHFFFAOYSA-N

Compound name

4-anilino-2-methoxybenzenediazonium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 940
Patents: 226.09804 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.10532	153.3
[M+Na]+	249.08726	168.3
[M+NH4]+	244.13186	159.8
[M+K]+	265.06120	157.9
[M-H]-	225.09076	153.4
[M+Na-2H]-	247.07271	161.4
[M]+	226.09749	155.1
[M]-	226.09859	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe