CID 2758663

436152-83-9

Structural Information

Molecular Formula

C₉H₁₀N₂S₂

SMILES

CC1=CC(=C(S1)C)C2=CSC(=N2)N

InChI

InChI=1S/C9H10N2S2/c1-5-3-7(6(2)13-5)8-4-12-9(10)11-8/h3-4H,1-2H3,(H2,10,11)

InChIKey

SKDWLGWJNNTNGX-UHFFFAOYSA-N

Compound name

4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 210.02853 Da
Monoisotopic Mass: 2.7
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]+	211.035806	141.4
[M+Na]+	233.017748	154.5
[M-H]-	209.021254	148.6
[M+NH4]+	228.062353	164.0
[M+K]+	248.991688	149.7
[M+H-H2O]+	193.025790	136.3
[M+HCOO]-	255.026731	158.9
[M+CH3COO]-	269.042381	156.2
[M+Na-2H]-	231.003196	140.0
[M]+	210.02798142	145.6
[M]-	210.02907858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe