CID 271587

6-methylpyridine-3-sulfonic acid

Structural Information

Molecular Formula
C6H7NO3S
SMILES
CC1=NC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C6H7NO3S/c1-5-2-3-6(4-7-5)11(8,9)10/h2-4H,1H3,(H,8,9,10)
InChIKey
QFPGRDDFLCHSMR-UHFFFAOYSA-N
Compound name
6-methylpyridine-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

173.01466 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.021936 131.3
[M+Na]+ 196.003878 141.3
[M-H]- 172.007384 133.2
[M+NH4]+ 191.048483 150.3
[M+K]+ 211.977818 138.7
[M+H-H2O]+ 156.011920 125.9
[M+HCOO]- 218.012861 148.3
[M+CH3COO]- 232.028511 172.0
[M+Na-2H]- 193.989326 137.2
[M]+ 173.01411142 133.6
[M]- 173.01520858 133.6
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