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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.03760 144.0
[M+Na]+ 246.01954 154.6
[M-H]- 222.02304 146.8
[M+NH4]+ 241.06414 162.2
[M+K]+ 261.99348 150.6
[M+H-H2O]+ 206.02758 138.3
[M+HCOO]- 268.02852 159.6
[M+CH3COO]- 282.04417 182.9
[M+Na-2H]- 244.00499 151.0
[M]+ 223.02977 147.2
[M]- 223.03087 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