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]+ 238.089626 152.8
[M+Na]+ 260.071568 160.4
[M-H]- 236.075074 156.0
[M+NH4]+ 255.116173 170.5
[M+K]+ 276.045508 155.9
[M+H-H2O]+ 220.079610 147.0
[M+HCOO]- 282.080551 166.0
[M+CH3COO]- 296.096201 185.5
[M+Na-2H]- 258.057016 150.4
[M]+ 237.08180142 151.2
[M]- 237.08289858 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.