CID 153804120

1-oxo-1,3-thiazol-4-ol

Structural Information

Molecular Formula
C3H3NO2S
SMILES
C1=C(N=CS1=O)O
InChI
InChI=1S/C3H3NO2S/c5-3-1-7(6)2-4-3/h1-2,5H
InChIKey
SBTGCWZMAIGETH-UHFFFAOYSA-N
Compound name
1-oxo-1,3-thiazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

116.98845 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.995726 116.5
[M+Na]+ 139.977668 127.6
[M-H]- 115.981174 118.8
[M+NH4]+ 135.022273 139.8
[M+K]+ 155.951608 125.9
[M+H-H2O]+ 99.985710 111.7
[M+HCOO]- 161.986651 136.4
[M+CH3COO]- 176.002301 161.5
[M+Na-2H]- 137.963116 120.6
[M]+ 116.98790142 118.4
[M]- 116.98899858 118.4
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.