CID 33695611

Pyridin-3-ylmethanesulfonamide

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
C1=CC(=CN=C1)CS(=O)(=O)N
InChI
InChI=1S/C6H8N2O2S/c7-11(9,10)5-6-2-1-3-8-4-6/h1-4H,5H2,(H2,7,9,10)
InChIKey
AMSCUQGYIGXFOH-UHFFFAOYSA-N
Compound name
pyridin-3-ylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

172.03065 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03793 132.4
[M+Na]+ 195.01987 141.3
[M-H]- 171.02337 134.7
[M+NH4]+ 190.06447 151.3
[M+K]+ 210.99381 138.4
[M+H-H2O]+ 155.02791 126.2
[M+HCOO]- 217.02885 151.0
[M+CH3COO]- 231.04450 175.6
[M+Na-2H]- 193.00532 138.7
[M]+ 172.03010 132.9
[M]- 172.03120 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe