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 145.9
[M+Na]+ 236.10325 153.8
[M-H]- 212.10675 154.2
[M+NH4]+ 231.14785 163.2
[M+K]+ 252.07719 145.3
[M+H-H2O]+ 196.11129 139.6
[M+HCOO]- 258.11223 175.0
[M+CH3COO]- 272.12788 191.7
[M+Na-2H]- 234.08870 157.1
[M]+ 213.11348 144.2
[M]- 213.11458 144.2
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