CID 67458762

2-(azetidin-3-yl)-1,3-benzothiazole dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₀N₂S

SMILES

C1C(CN1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C10H10N2S/c1-2-4-9-8(3-1)12-10(13-9)7-5-11-6-7/h1-4,7,11H,5-6H2

InChIKey

NLDDOQVKGDMRHM-UHFFFAOYSA-N

Compound name

2-(azetidin-3-yl)-1,3-benzothiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 190.05647 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]+	191.06375	127.8
[M+Na]+	213.04569	136.9
[M+NH4]+	208.09029	133.9
[M+K]+	229.01963	132.1
[M-H]-	189.04919	128.5
[M+Na-2H]-	211.03114	133.4
[M]+	190.05592	128.6
[M]-	190.05702	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe