CID 16112391

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

Structural Information

Molecular Formula
C6H7NS
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

20
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

No literature data available for this compound.

Patent stripe

patents stripe