CID 61023047

[2-(methylsulfanyl)pyridin-4-yl]methanamine

Structural Information

Molecular Formula

C₇H₁₀N₂S

SMILES

CSC1=NC=CC(=C1)CN

InChI

InChI=1S/C7H10N2S/c1-10-7-4-6(5-8)2-3-9-7/h2-4H,5,8H2,1H3

InChIKey

WUQAMFZTFZEJDD-UHFFFAOYSA-N

Compound name

(2-methylsulfanylpyridin-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 154.05647 Da
Monoisotopic Mass: 0.6
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]+	155.06375	129.0
[M+Na]+	177.04569	137.8
[M-H]-	153.04919	131.4
[M+NH4]+	172.09029	149.2
[M+K]+	193.01963	134.7
[M+H-H2O]+	137.05373	122.8
[M+HCOO]-	199.05467	148.0
[M+CH3COO]-	213.07032	177.0
[M+Na-2H]-	175.03114	133.5
[M]+	154.05592	129.5
[M]-	154.05702	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe