CID 81455782

2-hydroxy-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C4H3NO2S
SMILES
C1=C(SC(=O)N1)C=O
InChI
InChI=1S/C4H3NO2S/c6-2-3-1-5-4(7)8-3/h1-2H,(H,5,7)
InChIKey
BKYNGTQNGBBUQD-UHFFFAOYSA-N
Compound name
2-oxo-3H-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.98845 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.995726 120.2
[M+Na]+ 151.977668 131.2
[M-H]- 127.981174 122.3
[M+NH4]+ 147.022273 142.9
[M+K]+ 167.951608 128.6
[M+H-H2O]+ 111.985710 115.3
[M+HCOO]- 173.986651 140.0
[M+CH3COO]- 188.002301 163.6
[M+Na-2H]- 149.963116 123.9
[M]+ 128.98790142 121.8
[M]- 128.98899858 121.8
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.