CID 80502758

1369031-04-8

Structural Information

Molecular Formula
C12H15NO4S
SMILES
C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)CCC(=O)O
InChI
InChI=1S/C12H15NO4S/c14-12(15)7-4-10-2-5-11(6-3-10)13-8-1-9-18(13,16)17/h2-3,5-6H,1,4,7-9H2,(H,14,15)
InChIKey
ODSCRFOJIFAWTK-UHFFFAOYSA-N
Compound name
3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.07217 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07945 159.3
[M+Na]+ 292.06139 169.0
[M+NH4]+ 287.10599 167.0
[M+K]+ 308.03533 162.3
[M-H]- 268.06489 159.9
[M+Na-2H]- 290.04684 164.7
[M]+ 269.07162 161.1
[M]- 269.07272 161.1
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.