CID 16112391

4-ethenyl-2-methyl-1,3-thiazole

Structural Information

Molecular Formula

SMILES

CC1=NC(=CS1)C=C

InChI

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

InChIKey

GNKYWCCWNZWGQF-UHFFFAOYSA-N

Compound name

4-ethenyl-2-methyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
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]+	126.037196	121.9
[M+Na]+	148.019138	132.4
[M-H]-	124.022644	125.2
[M+NH4]+	143.063743	145.7
[M+K]+	163.993078	130.2
[M+H-H2O]+	108.027180	116.7
[M+HCOO]-	170.028121	141.9
[M+CH3COO]-	184.043771	169.3
[M+Na-2H]-	146.004586	124.9
[M]+	125.02937142	124.0
[M]-	125.03046858	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe