CID 9989295

40982-30-7

Structural Information

Molecular Formula

SMILES

CC(C1=NC=CS1)O

InChI

InChI=1S/C5H7NOS/c1-4(7)5-6-2-3-8-5/h2-4,7H,1H3

InChIKey

YTYLXXDUJXUJJJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 482
Patents: 129.02484 Da
Monoisotopic Mass: 0.5
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]+	130.032116	123.6
[M+Na]+	152.014058	132.4
[M-H]-	128.017564	125.3
[M+NH4]+	147.058663	146.1
[M+K]+	167.987998	131.0
[M+H-H2O]+	112.022100	118.3
[M+HCOO]-	174.023041	141.4
[M+CH3COO]-	188.038691	166.1
[M+Na-2H]-	149.999506	126.2
[M]+	129.02429142	124.5
[M]-	129.02538858	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe