CID 11389596

5664-55-1

Structural Information

Molecular Formula

SMILES

C1=C(SC=N1)CCO

InChI

InChI=1S/C5H7NOS/c7-2-1-5-3-6-4-8-5/h3-4,7H,1-2H2

InChIKey

MWSQHVUUIHWHBM-UHFFFAOYSA-N

Compound name

2-(1,3-thiazol-5-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 160
Patents: 129.02484 Da
Monoisotopic Mass: 0.6
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]+	130.03212	124.1
[M+Na]+	152.01406	135.0
[M+NH4]+	147.05866	133.2
[M+K]+	167.98800	129.0
[M-H]-	128.01756	125.0
[M+Na-2H]-	149.99951	129.3
[M]+	129.02429	126.2
[M]-	129.02539	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe