CID 112639827

(5-methylpyridin-3-yl)methanesulfonamide

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CC1=CC(=CN=C1)CS(=O)(=O)N
InChI
InChI=1S/C7H10N2O2S/c1-6-2-7(4-9-3-6)5-12(8,10)11/h2-4H,5H2,1H3,(H2,8,10,11)
InChIKey
NNKSZGVJYGDFDQ-UHFFFAOYSA-N
Compound name
(5-methylpyridin-3-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0463 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 136.6
[M+Na]+ 209.03552 145.9
[M-H]- 185.03902 139.1
[M+NH4]+ 204.08012 155.3
[M+K]+ 225.00946 142.8
[M+H-H2O]+ 169.04356 130.5
[M+HCOO]- 231.04450 154.8
[M+CH3COO]- 245.06015 179.8
[M+Na-2H]- 207.02097 141.8
[M]+ 186.04575 137.9
[M]- 186.04685 137.9
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

No patent data available for this compound.