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: 9
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	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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe