CID 15654

4-methyl-5-vinylthiazole

Structural Information

Molecular Formula
C6H7NS
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
6
Annotation Hits

2
References

1350
Patents

125.02992 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.03720 121.9
[M+Na]+ 148.01914 132.4
[M-H]- 124.02264 125.2
[M+NH4]+ 143.06374 145.7
[M+K]+ 163.99308 130.2
[M+H-H2O]+ 108.02718 116.7
[M+HCOO]- 170.02812 141.9
[M+CH3COO]- 184.04377 169.3
[M+Na-2H]- 146.00459 124.9
[M]+ 125.02937 124.0
[M]- 125.03047 124.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe