CID 13678549

2-ethenyl-1,3-thiazole

Structural Information

Molecular Formula
C5H5NS
SMILES
C=CC1=NC=CS1
InChI
InChI=1S/C5H5NS/c1-2-5-6-3-4-7-5/h2-4H,1H2
InChIKey
JDCUKFVNOWJNBU-UHFFFAOYSA-N
Compound name
2-ethenyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4157
Patents

111.01427 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.02155 118.0
[M+Na]+ 134.00349 128.1
[M-H]- 110.00699 121.1
[M+NH4]+ 129.04809 142.1
[M+K]+ 149.97743 126.2
[M+H-H2O]+ 94.011530 112.8
[M+HCOO]- 156.01247 138.4
[M+CH3COO]- 170.02812 165.2
[M+Na-2H]- 131.98894 122.2
[M]+ 111.01372 119.4
[M]- 111.01482 119.4
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

No patent data available for this compound.