CID 2736621

114095-02-2

Structural Information

Molecular Formula

C₁₀H₈N₂OS

SMILES

C1=CC=C2C(=C1)N3C=C(N=C3S2)CO

InChI

InChI=1S/C10H8N2OS/c13-6-7-5-12-8-3-1-2-4-9(8)14-10(12)11-7/h1-5,13H,6H2

InChIKey

CKPKCVPIDQOXIW-UHFFFAOYSA-N

Compound name

imidazo[2,1-b][1,3]benzothiazol-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 204.03574 Da
Monoisotopic Mass: 2.4
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]+	205.04302	139.3
[M+Na]+	227.02496	153.6
[M-H]-	203.02846	143.2
[M+NH4]+	222.06956	162.5
[M+K]+	242.99890	149.2
[M+H-H2O]+	187.03300	134.5
[M+HCOO]-	249.03394	159.3
[M+CH3COO]-	263.04959	154.4
[M+Na-2H]-	225.01041	144.7
[M]+	204.03519	146.1
[M]-	204.03629	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe