CID 4962595

82928-10-7

Structural Information

Molecular Formula

C₉H₁₀N₂S

SMILES

C1=CC=C2C(=C1)N=C(S2)CCN

InChI

InChI=1S/C9H10N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2

InChIKey

HLTRQIYNHRBUNW-UHFFFAOYSA-N

Compound name

2-(1,3-benzothiazol-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 49
Patents: 178.05647 Da
Monoisotopic Mass: 2.0
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]+	179.06375	134.1
[M+Na]+	201.04569	147.0
[M+NH4]+	196.09029	144.2
[M+K]+	217.01963	139.4
[M-H]-	177.04919	137.4
[M+Na-2H]-	199.03114	141.1
[M]+	178.05592	137.3
[M]-	178.05702	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe