CID 20355448

2167072-13-9

Structural Information

Molecular Formula

C₉H₁₄N₂O₂S

SMILES

CC(C)CS(=O)(=O)C1=CN=C(C=C1)N

InChI

InChI=1S/C9H14N2O2S/c1-7(2)6-14(12,13)8-3-4-9(10)11-5-8/h3-5,7H,6H2,1-2H3,(H2,10,11)

InChIKey

YTPPEYVICQKTND-UHFFFAOYSA-N

Compound name

5-(2-methylpropylsulfonyl)pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 214.0776 Da
Monoisotopic Mass: 1.1
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]+	215.084876	145.4
[M+Na]+	237.066818	153.4
[M-H]-	213.070324	147.6
[M+NH4]+	232.111423	162.8
[M+K]+	253.040758	150.5
[M+H-H2O]+	197.074860	139.0
[M+HCOO]-	259.075801	161.9
[M+CH3COO]-	273.091451	186.7
[M+Na-2H]-	235.052266	148.5
[M]+	214.07705142	146.8
[M]-	214.07814858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe