CID 3109005

1-methylpyridin-1-ium-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

35
Patents

174.02249 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.029766 130.3
[M+Na]+ 197.011708 140.2
[M-H]- 173.015214 132.6
[M+NH4]+ 192.056313 149.0
[M+K]+ 212.985648 132.1
[M+H-H2O]+ 157.019750 127.7
[M+HCOO]- 219.020691 147.0
[M+CH3COO]- 233.036341 164.9
[M+Na-2H]- 194.997156 138.8
[M]+ 174.02194142 131.0
[M]- 174.02303858 131.0
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