CID 13678551

5-ethenyl-1,3-thiazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

236
Patents

111.01427 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.021546 118.0
[M+Na]+ 134.003488 128.1
[M-H]- 110.006994 121.1
[M+NH4]+ 129.048093 142.1
[M+K]+ 149.977428 126.2
[M+H-H2O]+ 94.011530 112.8
[M+HCOO]- 156.012471 138.4
[M+CH3COO]- 170.028121 165.2
[M+Na-2H]- 131.988936 122.2
[M]+ 111.01372142 119.4
[M]- 111.01481858 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

literature stripe

Patent stripe

patents stripe