CID 278070

8-amino-5-quinolinesulfonic acid, sodium salt

Structural Information

Molecular Formula
C9H8N2O3S
SMILES
C1=CC2=C(C=CC(=C2N=C1)N)S(=O)(=O)O
InChI
InChI=1S/C9H8N2O3S/c10-7-3-4-8(15(12,13)14)6-2-1-5-11-9(6)7/h1-5H,10H2,(H,12,13,14)
InChIKey
NLUUWZYRMSDVAE-UHFFFAOYSA-N
Compound name
8-aminoquinoline-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

224.02556 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03284 143.6
[M+Na]+ 247.01478 153.7
[M-H]- 223.01828 145.8
[M+NH4]+ 242.05938 161.0
[M+K]+ 262.98872 149.4
[M+H-H2O]+ 207.02282 137.7
[M+HCOO]- 269.02376 159.8
[M+CH3COO]- 283.03941 184.4
[M+Na-2H]- 245.00023 150.7
[M]+ 224.02501 144.7
[M]- 224.02611 144.7
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.