CID 124706498

3-methyl-5-(methylsulfanyl)pyridin-2-amine

Structural Information

Molecular Formula

C₇H₁₀N₂S

SMILES

CC1=CC(=CN=C1N)SC

InChI

InChI=1S/C7H10N2S/c1-5-3-6(10-2)4-9-7(5)8/h3-4H,1-2H3,(H2,8,9)

InChIKey

GSYLQBDKDBGQEW-UHFFFAOYSA-N

Compound name

3-methyl-5-methylsulfanylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 154.05647 Da
Monoisotopic Mass: 1.4
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]+	155.063746	129.0
[M+Na]+	177.045688	138.6
[M-H]-	153.049194	131.7
[M+NH4]+	172.090293	149.4
[M+K]+	193.019628	135.5
[M+H-H2O]+	137.053730	123.0
[M+HCOO]-	199.054671	147.9
[M+CH3COO]-	213.070321	178.1
[M+Na-2H]-	175.031136	132.8
[M]+	154.05592142	129.8
[M]-	154.05701858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe