CID 133588

Chebi:176895

Structural Information

Molecular Formula
C4H5NO2S
SMILES
C1CSC(=N1)C(=O)O
InChI
InChI=1S/C4H5NO2S/c6-4(7)3-5-1-2-8-3/h1-2H2,(H,6,7)
InChIKey
RFKAGFYMWORAGT-UHFFFAOYSA-N
Compound name
4,5-dihydro-1,3-thiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

75
Patents

131.0041 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.01138 124.6
[M+Na]+ 153.99332 134.0
[M+NH4]+ 149.03792 132.8
[M+K]+ 169.96726 129.7
[M-H]- 129.99682 124.4
[M+Na-2H]- 151.97877 128.2
[M]+ 131.00355 126.0
[M]- 131.00465 126.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe