CID 22245062

232951-86-9

Structural Information

Molecular Formula

SMILES

CSC1=CN=CC(=C1)N

InChI

InChI=1S/C6H8N2S/c1-9-6-2-5(7)3-8-4-6/h2-4H,7H2,1H3

InChIKey

ZNXHYHVWDUPQPL-UHFFFAOYSA-N

Compound name

5-methylsulfanylpyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 140.04082 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]+	141.04810	124.6
[M+Na]+	163.03004	133.8
[M-H]-	139.03354	127.1
[M+NH4]+	158.07464	145.3
[M+K]+	179.00398	130.9
[M+H-H2O]+	123.03808	118.6
[M+HCOO]-	185.03902	143.9
[M+CH3COO]-	199.05467	174.0
[M+Na-2H]-	161.01549	129.6
[M]+	140.04027	124.7
[M]-	140.04137	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe