CID 28889956

4-(methylsulfonyl)pyridin-3-amine

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

CS(=O)(=O)C1=C(C=NC=C1)N

InChI

InChI=1S/C6H8N2O2S/c1-11(9,10)6-2-3-8-4-5(6)7/h2-4H,7H2,1H3

InChIKey

XVIIWSOOMCGMOG-UHFFFAOYSA-N

Compound name

4-methylsulfonylpyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 172.03065 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	173.03793	133.6
[M+Na]+	195.01987	144.9
[M+NH4]+	190.06447	141.2
[M+K]+	210.99381	138.6
[M-H]-	171.02337	134.4
[M+Na-2H]-	193.00532	139.4
[M]+	172.03010	135.8
[M]-	172.03120	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe