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

50
Patents

173.01466 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.02194 133.5
[M+Na]+ 196.00388 145.4
[M+NH4]+ 191.04848 140.8
[M+K]+ 211.97782 139.2
[M-H]- 172.00738 133.3
[M+Na-2H]- 193.98933 139.0
[M]+ 173.01411 135.5
[M]- 173.01521 135.5
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