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

11
Patents

223.03032 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.037596 144.0
[M+Na]+ 246.019538 154.6
[M-H]- 222.023044 146.8
[M+NH4]+ 241.064143 162.2
[M+K]+ 261.993478 150.6
[M+H-H2O]+ 206.027580 138.3
[M+HCOO]- 268.028521 159.6
[M+CH3COO]- 282.044171 182.9
[M+Na-2H]- 244.004986 151.0
[M]+ 223.02977142 147.2
[M]- 223.03086858 147.2
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