CID 16226809

3-acetyl-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C10H11NO4S
SMILES
CC(=O)N1C(CSC1C2=CC=CO2)C(=O)O
InChI
InChI=1S/C10H11NO4S/c1-6(12)11-7(10(13)14)5-16-9(11)8-3-2-4-15-8/h2-4,7,9H,5H2,1H3,(H,13,14)
InChIKey
TUMPYVWHXLSDJY-UHFFFAOYSA-N
Compound name
3-acetyl-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.04088 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04816 153.1
[M+Na]+ 264.03010 161.2
[M+NH4]+ 259.07470 159.6
[M+K]+ 280.00404 160.1
[M-H]- 240.03360 154.4
[M+Na-2H]- 262.01555 154.7
[M]+ 241.04033 154.7
[M]- 241.04143 154.7
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.