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]+ 129.99573 120.2
[M+Na]+ 151.97767 131.2
[M-H]- 127.98117 122.3
[M+NH4]+ 147.02227 142.9
[M+K]+ 167.95161 128.6
[M+H-H2O]+ 111.98571 115.3
[M+HCOO]- 173.98665 140.0
[M+CH3COO]- 188.00230 163.6
[M+Na-2H]- 149.96312 123.9
[M]+ 128.98790 121.8
[M]- 128.98900 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.