CID 45080575

6-methylpyridine-3-sulfonamide

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
CC1=NC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C6H8N2O2S/c1-5-2-3-6(4-8-5)11(7,9)10/h2-4H,1H3,(H2,7,9,10)
InChIKey
RPLBYMXKOXFVNR-UHFFFAOYSA-N
Compound name
6-methylpyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

172.03065 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.037926 132.2
[M+Na]+ 195.019868 141.9
[M-H]- 171.023374 134.9
[M+NH4]+ 190.064473 151.4
[M+K]+ 210.993808 139.1
[M+H-H2O]+ 155.027910 126.3
[M+HCOO]- 217.028851 150.7
[M+CH3COO]- 231.044501 176.7
[M+Na-2H]- 193.005316 137.8
[M]+ 172.03010142 133.1
[M]- 172.03119858 133.1
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