CID 37134626

1269199-56-5

Structural Information

Molecular Formula

C₆H₁₀N₂S₂

SMILES

CSCC1=NC(=CS1)CN

InChI

InChI=1S/C6H10N2S2/c1-9-4-6-8-5(2-7)3-10-6/h3H,2,4,7H2,1H3

InChIKey

XYCMJBJXBKYRON-UHFFFAOYSA-N

Compound name

[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 174.02853 Da
Monoisotopic Mass: 0.3
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]+	175.035806	132.0
[M+Na]+	197.017748	141.6
[M-H]-	173.021254	134.3
[M+NH4]+	192.062353	153.4
[M+K]+	212.991688	137.7
[M+H-H2O]+	157.025790	126.3
[M+HCOO]-	219.026731	146.3
[M+CH3COO]-	233.042381	179.1
[M+Na-2H]-	195.003196	132.2
[M]+	174.02798142	133.9
[M]-	174.02907858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe