CID 70101972

Schembl7469537

Structural Information

Molecular Formula
C3H3NO2S
SMILES
C1=CS(=O)C(=O)N1
InChI
InChI=1S/C3H3NO2S/c5-3-4-1-2-7(3)6/h1-2H,(H,4,5)
InChIKey
FQOAPJBPXZZOMH-UHFFFAOYSA-N
Compound name
1-oxo-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

116.98845 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.995726 117.7
[M+Na]+ 139.977668 127.9
[M-H]- 115.981174 119.5
[M+NH4]+ 135.022273 140.7
[M+K]+ 155.951608 125.9
[M+H-H2O]+ 99.985710 112.9
[M+HCOO]- 161.986651 136.2
[M+CH3COO]- 176.002301 161.0
[M+Na-2H]- 137.963116 120.8
[M]+ 116.98790142 117.5
[M]- 116.98899858 117.5
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