CID 17966843

2126159-53-1

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

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

InChI

InChI=1S/C7H10N2O2S/c1-12(10,11)7-3-2-6(4-8)5-9-7/h2-3,5H,4,8H2,1H3

InChIKey

KMONYXIECSWHNO-UHFFFAOYSA-N

Compound name

(6-methylsulfonylpyridin-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 186.0463 Da
Monoisotopic Mass: -0.7
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]+	187.05358	138.0
[M+Na]+	209.03552	149.0
[M+NH4]+	204.08012	145.3
[M+K]+	225.00946	142.5
[M-H]-	185.03902	138.7
[M+Na-2H]-	207.02097	143.5
[M]+	186.04575	140.0
[M]-	186.04685	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe