CID 332992

(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanol

Structural Information

Molecular Formula

C₆H₅ClN₂OS

SMILES

C1=CSC2=NC(=C(N21)CO)Cl

InChI

InChI=1S/C6H5ClN2OS/c7-5-4(3-10)9-1-2-11-6(9)8-5/h1-2,10H,3H2

InChIKey

PWHRIJYPBNUZLZ-UHFFFAOYSA-N

Compound name

(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 187.98111 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]+	188.988386	134.3
[M+Na]+	210.970328	148.2
[M-H]-	186.973834	136.8
[M+NH4]+	206.014933	157.7
[M+K]+	226.944268	144.0
[M+H-H2O]+	170.978370	130.0
[M+HCOO]-	232.979311	149.2
[M+CH3COO]-	246.994961	149.2
[M+Na-2H]-	208.955776	137.1
[M]+	187.98056142	140.6
[M]-	187.98165858	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe