CID 18961044

145283-66-5

Structural Information

Molecular Formula
C4H5NO3S
SMILES
C1C(SC(=O)N1)C(=O)O
InChI
InChI=1S/C4H5NO3S/c6-3(7)2-1-5-4(8)9-2/h2H,1H2,(H,5,8)(H,6,7)
InChIKey
XAUYBXHQDHHHGE-UHFFFAOYSA-N
Compound name
2-oxo-1,3-thiazolidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

146.99901 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.006286 127.8
[M+Na]+ 169.988228 135.5
[M-H]- 145.991734 127.6
[M+NH4]+ 165.032833 148.5
[M+K]+ 185.962168 133.5
[M+H-H2O]+ 129.996270 122.9
[M+HCOO]- 191.997211 142.1
[M+CH3COO]- 206.012861 164.7
[M+Na-2H]- 167.973676 128.1
[M]+ 146.99846142 125.4
[M]- 146.99955858 125.4
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

patents stripe