CID 4143104

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

Structural Information

Molecular Formula
C12H15NO2S
SMILES
CC1=CC(=C(C=C1)C2NC(CS2)C(=O)O)C
InChI
InChI=1S/C12H15NO2S/c1-7-3-4-9(8(2)5-7)11-13-10(6-16-11)12(14)15/h3-5,10-11,13H,6H2,1-2H3,(H,14,15)
InChIKey
WTDGOGLHWOAHSL-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.08235 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08963 152.8
[M+Na]+ 260.07157 160.4
[M-H]- 236.07507 156.0
[M+NH4]+ 255.11617 170.5
[M+K]+ 276.04551 155.9
[M+H-H2O]+ 220.07961 147.0
[M+HCOO]- 282.08055 166.0
[M+CH3COO]- 296.09620 185.5
[M+Na-2H]- 258.05702 150.4
[M]+ 237.08180 151.2
[M]- 237.08290 151.2
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.