CID 13678551

5-vinylthiazole

Structural Information

Molecular Formula

SMILES

C=CC1=CN=CS1

InChI

InChI=1S/C5H5NS/c1-2-5-3-6-4-7-5/h2-4H,1H2

InChIKey

SZMYFESRCUFULU-UHFFFAOYSA-N

Compound name

5-ethenyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 225
Patents: 111.01427 Da
Monoisotopic Mass: 1.8
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]+	112.02155	120.4
[M+Na]+	134.00349	132.4
[M+NH4]+	129.04809	130.2
[M+K]+	149.97743	125.5
[M-H]-	110.00699	122.2
[M+Na-2H]-	131.98894	126.5
[M]+	111.01372	123.0
[M]-	111.01482	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe