CID 17389858

Sodium 8-quinaldinesulfonate

Structural Information

Molecular Formula

C₁₀H₉NO₃S

SMILES

CC1=NC2=C(C=CC=C2S(=O)(=O)O)C=C1

InChI

InChI=1S/C10H9NO3S/c1-7-5-6-8-3-2-4-9(10(8)11-7)15(12,13)14/h2-6H,1H3,(H,12,13,14)

InChIKey

ZSBMDUMZTUVHRL-UHFFFAOYSA-N

Compound name

2-methylquinoline-8-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 223.03032 Da
Monoisotopic Mass: 1.4
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]+	224.03760	145.2
[M+Na]+	246.01954	158.7
[M+NH4]+	241.06414	153.2
[M+K]+	261.99348	151.2
[M-H]-	222.02304	146.1
[M+Na-2H]-	244.00499	151.3
[M]+	223.02977	147.9
[M]-	223.03087	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe