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: 1
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]+	175.03581	132.0
[M+Na]+	197.01775	141.6
[M-H]-	173.02125	134.3
[M+NH4]+	192.06235	153.4
[M+K]+	212.99169	137.7
[M+H-H2O]+	157.02579	126.3
[M+HCOO]-	219.02673	146.3
[M+CH3COO]-	233.04238	179.1
[M+Na-2H]-	195.00320	132.2
[M]+	174.02798	133.9
[M]-	174.02908	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe