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

45
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 130.3
[M+Na]+ 197.01171 140.2
[M-H]- 173.01521 132.6
[M+NH4]+ 192.05631 149.0
[M+K]+ 212.98565 132.1
[M+H-H2O]+ 157.01975 127.7
[M+HCOO]- 219.02069 147.0
[M+CH3COO]- 233.03634 164.9
[M+Na-2H]- 194.99716 138.8
[M]+ 174.02194 131.0
[M]- 174.02304 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