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

255
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 123.5
[M+Na]+ 153.99332 131.9
[M-H]- 129.99682 125.0
[M+NH4]+ 149.03792 145.7
[M+K]+ 169.96726 130.8
[M+H-H2O]+ 114.00136 118.3
[M+HCOO]- 176.00230 140.6
[M+CH3COO]- 190.01795 164.5
[M+Na-2H]- 151.97877 125.8
[M]+ 131.00355 123.4
[M]- 131.00465 123.4
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