CID 11686921

63779-34-0

Structural Information

Molecular Formula

C₆H₁₀N₂S

SMILES

C1=CSC(=N1)CCCN

InChI

InChI=1S/C6H10N2S/c7-3-1-2-6-8-4-5-9-6/h4-5H,1-3,7H2

InChIKey

FPKQNDZQVDBFLK-UHFFFAOYSA-N

Compound name

3-(1,3-thiazol-2-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 142.05647 Da
Monoisotopic Mass: 0.7
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]+	143.06375	128.1
[M+Na]+	165.04569	138.2
[M+NH4]+	160.09029	137.3
[M+K]+	181.01963	131.9
[M-H]-	141.04919	130.1
[M+Na-2H]-	163.03114	133.4
[M]+	142.05592	130.4
[M]-	142.05702	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe