CID 6917192

2-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₁N₃S

SMILES

C1=CN=CC=C1C2=CSC(=N2)CCN

InChI

InChI=1S/C10H11N3S/c11-4-1-10-13-9(7-14-10)8-2-5-12-6-3-8/h2-3,5-7H,1,4,11H2

InChIKey

ASGSTPZRHAOXCU-UHFFFAOYSA-N

Compound name

2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 205.06737 Da
Monoisotopic Mass: 0.9
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]+	206.074646	141.8
[M+Na]+	228.056588	151.2
[M-H]-	204.060094	146.1
[M+NH4]+	223.101193	160.3
[M+K]+	244.030528	146.8
[M+H-H2O]+	188.064630	134.2
[M+HCOO]-	250.065571	161.3
[M+CH3COO]-	264.081221	154.8
[M+Na-2H]-	226.042036	145.0
[M]+	205.06682142	142.5
[M]-	205.06791858	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe