CID 7192

2-amino-6-ethoxybenzothiazole

Structural Information

Molecular Formula

C₉H₁₀N₂OS

SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N

InChI

InChI=1S/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,2H2,1H3,(H2,10,11)

InChIKey

KOYJWFGMEBETBU-UHFFFAOYSA-N

Compound name

6-ethoxy-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 601
Patents: 194.05139 Da
Monoisotopic Mass: 2.8
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]+	195.05867	138.0
[M+Na]+	217.04061	150.8
[M+NH4]+	212.08521	147.5
[M+K]+	233.01455	143.9
[M-H]-	193.04411	140.8
[M+Na-2H]-	215.02606	144.2
[M]+	194.05084	141.1
[M]-	194.05194	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe