CID 3109005

1-methylpyridinium-2-sulfonate

Structural Information

Molecular Formula
C6H8NO3S
SMILES
C[N+]1=CC=CC=C1S(=O)(=O)O
InChI
InChI=1S/C6H7NO3S/c1-7-5-3-2-4-6(7)11(8,9)10/h2-5H,1H3/p+1
InChIKey
YBNCNAMRNBKKMS-UHFFFAOYSA-O
Compound name
1-methylpyridin-1-ium-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

174.02249 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02977 129.5
[M+Na]+ 197.01171 143.5
[M+NH4]+ 192.05631 138.0
[M+K]+ 212.98565 138.0
[M-H]- 173.01521 131.0
[M+Na-2H]- 194.99716 136.2
[M]+ 174.02194 132.7
[M]- 174.02304 132.7
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

patents stripe