CID 108792

Pyridinium, 2-[(4-aminophenyl)azo]-1-methyl-, methyl sulfate

Structural Information

Molecular Formula
C12H13N4
SMILES
C[N+]1=CC=CC=C1N=NC2=CC=C(C=C2)N
InChI
InChI=1S/C12H12N4/c1-16-9-3-2-4-12(16)15-14-11-7-5-10(13)6-8-11/h2-9,13H,1H3/p+1
InChIKey
LQYYFPCLWOLEFX-UHFFFAOYSA-O
Compound name
4-[(1-methylpyridin-1-ium-2-yl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

213.11403 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12131 144.4
[M+Na]+ 236.10325 160.4
[M+NH4]+ 231.14785 154.5
[M+K]+ 252.07719 153.1
[M-H]- 212.10675 152.9
[M+Na-2H]- 234.08870 156.5
[M]+ 213.11348 149.4
[M]- 213.11458 149.4
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

patents stripe