CID 3141768

2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C12H15NO2S
SMILES
CCC1=CC=C(C=C1)C2NC(CS2)C(=O)O
InChI
InChI=1S/C12H15NO2S/c1-2-8-3-5-9(6-4-8)11-13-10(7-16-11)12(14)15/h3-6,10-11,13H,2,7H2,1H3,(H,14,15)
InChIKey
OTYQAMRZSHKIGF-UHFFFAOYSA-N
Compound name
2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.08235 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08963 153.3
[M+Na]+ 260.07157 163.4
[M+NH4]+ 255.11617 161.1
[M+K]+ 276.04551 157.8
[M-H]- 236.07507 155.1
[M+Na-2H]- 258.05702 157.6
[M]+ 237.08180 155.5
[M]- 237.08290 155.5
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

No patent data available for this compound.