CID 15654

4-methyl-5-vinylthiazole

Structural Information

Molecular Formula

SMILES

CC1=C(SC=N1)C=C

InChI

InChI=1S/C6H7NS/c1-3-6-5(2)7-4-8-6/h3-4H,1H2,2H3

InChIKey

QUAMMXIRDIIGDJ-UHFFFAOYSA-N

Compound name

5-ethenyl-4-methyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 1301
Patents: 125.02992 Da
Monoisotopic Mass: 2.2
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]+	126.03720	124.8
[M+Na]+	148.01914	137.0
[M+NH4]+	143.06374	134.4
[M+K]+	163.99308	130.0
[M-H]-	124.02264	126.6
[M+Na-2H]-	146.00459	130.4
[M]+	125.02937	127.4
[M]-	125.03047	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe