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 152.9
[M+Na]+ 264.03010 160.7
[M-H]- 240.03360 158.5
[M+NH4]+ 259.07470 171.3
[M+K]+ 280.00404 160.1
[M+H-H2O]+ 224.03814 148.0
[M+HCOO]- 286.03908 168.0
[M+CH3COO]- 300.05473 184.8
[M+Na-2H]- 262.01555 150.2
[M]+ 241.04033 155.0
[M]- 241.04143 155.0
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.