CID 3141768

342412-25-3

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 153.2
[M+Na]+ 260.07157 159.8
[M-H]- 236.07507 155.9
[M+NH4]+ 255.11617 170.6
[M+K]+ 276.04551 155.3
[M+H-H2O]+ 220.07961 147.0
[M+HCOO]- 282.08055 166.4
[M+CH3COO]- 296.09620 184.3
[M+Na-2H]- 258.05702 151.4
[M]+ 237.08180 151.1
[M]- 237.08290 151.1
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.