CID 118311758

1361478-88-7

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

CC1=CC(=CN=C1N)S(=O)(=O)C

InChI

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

InChIKey

OPBKBAKAKKOEEH-UHFFFAOYSA-N

Compound name

3-methyl-5-methylsulfonylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 186.0463 Da
Monoisotopic Mass: 0.1
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]+	187.053576	136.3
[M+Na]+	209.035518	146.4
[M-H]-	185.039024	139.2
[M+NH4]+	204.080123	155.2
[M+K]+	225.009458	143.4
[M+H-H2O]+	169.043560	130.4
[M+HCOO]-	231.044501	154.4
[M+CH3COO]-	245.060151	181.0
[M+Na-2H]-	207.020966	140.8
[M]+	186.04575142	138.0
[M]-	186.04684858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe