CID 5362563

2,4-dimethyl-5-vinylthiazole

Structural Information

Molecular Formula

SMILES

CC1=C(SC(=N1)C)C=C

InChI

InChI=1S/C7H9NS/c1-4-7-5(2)8-6(3)9-7/h4H,1H2,2-3H3

InChIKey

MLBCDQHOBLVBQD-UHFFFAOYSA-N

Compound name

5-ethenyl-2,4-dimethyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 59
Patents: 139.04558 Da
Monoisotopic Mass: 2.6
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]+	140.052856	125.6
[M+Na]+	162.034798	136.6
[M-H]-	138.038304	129.2
[M+NH4]+	157.079403	149.2
[M+K]+	178.008738	134.1
[M+H-H2O]+	122.042840	120.6
[M+HCOO]-	184.043781	145.3
[M+CH3COO]-	198.059431	173.4
[M+Na-2H]-	160.020246	127.6
[M]+	139.04503142	128.5
[M]-	139.04612858	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe