CID 11228767

2,3-dihydro-1,3-thiazol-2-one

Structural Information

Molecular Formula
C3H3NOS
SMILES
C1=CSC(=O)N1
InChI
InChI=1S/C3H3NOS/c5-3-4-1-2-6-3/h1-2H,(H,4,5)
InChIKey
CZWWCTHQXBMHDA-UHFFFAOYSA-N
Compound name
3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

6867
Patents

100.99354 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.00082 113.7
[M+Na]+ 123.98276 124.0
[M-H]- 99.986264 115.6
[M+NH4]+ 119.02736 137.4
[M+K]+ 139.95670 122.0
[M+H-H2O]+ 83.990800 108.8
[M+HCOO]- 145.99174 133.4
[M+CH3COO]- 160.00739 158.4
[M+Na-2H]- 121.96821 118.4
[M]+ 100.99299 113.8
[M]- 100.99409 113.8
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.