CID 13678549

2-vinylthiazole

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

3292
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 120.4
[M+Na]+ 134.00349 132.4
[M+NH4]+ 129.04809 130.2
[M+K]+ 149.97743 125.5
[M-H]- 110.00699 122.2
[M+Na-2H]- 131.98894 126.5
[M]+ 111.01372 123.0
[M]- 111.01482 123.0
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