CID 575451

2-methoxythiazole

Structural Information

Molecular Formula

SMILES

COC1=NC=CS1

InChI

InChI=1S/C4H5NOS/c1-6-4-5-2-3-7-4/h2-3H,1H3

InChIKey

MJJRDTKNLLMJDJ-UHFFFAOYSA-N

Compound name

2-methoxy-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 938
Patents: 115.009186 Da
Monoisotopic Mass: 1.3
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]+	116.016462	117.9
[M+Na]+	137.998404	128.0
[M-H]-	114.001910	121.1
[M+NH4]+	133.043009	141.8
[M+K]+	153.972344	127.4
[M+H-H2O]+	98.006446	112.5
[M+HCOO]-	160.007387	138.6
[M+CH3COO]-	174.023037	165.0
[M+Na-2H]-	135.983852	122.6
[M]+	115.00863742	121.0
[M]-	115.00973458	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe