CID 89787

N-phenylazo-n-methyltaurine sodium salt

Structural Information

Molecular Formula
C9H13N3O3S
SMILES
CN(CCS(=O)(=O)O)N=NC1=CC=CC=C1
InChI
InChI=1S/C9H13N3O3S/c1-12(7-8-16(13,14)15)11-10-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14,15)
InChIKey
BEOPSJXXSYVVGZ-UHFFFAOYSA-N
Compound name
2-[methyl(phenyldiazenyl)amino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.06776 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07504 152.0
[M+Na]+ 266.05698 160.4
[M+NH4]+ 261.10158 158.7
[M+K]+ 282.03092 154.3
[M-H]- 242.06048 154.1
[M+Na-2H]- 264.04243 158.1
[M]+ 243.06721 153.9
[M]- 243.06831 153.9
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.