CID 13032981

N-methylpyridine-3-sulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

172.03065 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03793 132.0
[M+Na]+ 195.01987 140.9
[M-H]- 171.02337 134.9
[M+NH4]+ 190.06447 151.2
[M+K]+ 210.99381 138.4
[M+H-H2O]+ 155.02791 125.8
[M+HCOO]- 217.02885 151.2
[M+CH3COO]- 231.04450 176.2
[M+Na-2H]- 193.00532 139.4
[M]+ 172.03010 133.6
[M]- 172.03120 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