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]+ 242.048156 152.9
[M+Na]+ 264.030098 160.7
[M-H]- 240.033604 158.5
[M+NH4]+ 259.074703 171.3
[M+K]+ 280.004038 160.1
[M+H-H2O]+ 224.038140 148.0
[M+HCOO]- 286.039081 168.0
[M+CH3COO]- 300.054731 184.8
[M+Na-2H]- 262.015546 150.2
[M]+ 241.04033142 155.0
[M]- 241.04142858 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.