CID 15324916

3-(ethanesulfonyl)pyridin-2-amine

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

CCS(=O)(=O)C1=C(N=CC=C1)N

InChI

InChI=1S/C7H10N2O2S/c1-2-12(10,11)6-4-3-5-9-7(6)8/h3-5H,2H2,1H3,(H2,8,9)

InChIKey

MDLPRJUZGNPTQN-UHFFFAOYSA-N

Compound name

3-ethylsulfonylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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