CID 178244312

2-methyl-1-oxo-1,3-thiazol-5-ol

Structural Information

Molecular Formula
C4H5NO2S
SMILES
CC1=NC=C(S1=O)O
InChI
InChI=1S/C4H5NO2S/c1-3-5-2-4(6)8(3)7/h2,6H,1H3
InChIKey
VVFZXERSJRRPMG-UHFFFAOYSA-N
Compound name
2-methyl-1-oxo-1,3-thiazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.0041 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.011376 120.4
[M+Na]+ 153.993318 131.9
[M-H]- 129.996824 122.9
[M+NH4]+ 149.037923 143.4
[M+K]+ 169.967258 129.9
[M+H-H2O]+ 114.001360 115.8
[M+HCOO]- 176.002301 139.9
[M+CH3COO]- 190.017951 165.7
[M+Na-2H]- 151.978766 123.4
[M]+ 131.00355142 123.1
[M]- 131.00464858 123.1
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.