CID 2827740

72678-98-9

Structural Information

Molecular Formula
C8H9NO3S
SMILES
C1C(NC(S1)C2=CC=CO2)C(=O)O
InChI
InChI=1S/C8H9NO3S/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-3,5,7,9H,4H2,(H,10,11)
InChIKey
VYGBVPOHBURDGB-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

13
Patents

199.03032 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03760 141.6
[M+Na]+ 222.01954 149.2
[M-H]- 198.02304 145.6
[M+NH4]+ 217.06414 160.8
[M+K]+ 237.99348 147.7
[M+H-H2O]+ 182.02758 136.7
[M+HCOO]- 244.02852 156.5
[M+CH3COO]- 258.04417 173.7
[M+Na-2H]- 220.00499 140.9
[M]+ 199.02977 140.7
[M]- 199.03087 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe