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

32
Patents

146.99901 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.00629 127.8
[M+Na]+ 169.98823 135.5
[M-H]- 145.99173 127.6
[M+NH4]+ 165.03283 148.5
[M+K]+ 185.96217 133.5
[M+H-H2O]+ 129.99627 122.9
[M+HCOO]- 191.99721 142.1
[M+CH3COO]- 206.01286 164.7
[M+Na-2H]- 167.97368 128.1
[M]+ 146.99846 125.4
[M]- 146.99956 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