CID 41947

56614-75-6

Structural Information

Molecular Formula

C₁₂H₁₅NO₂S

SMILES

CC1(C(NC(S1)C2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C12H15NO2S/c1-12(2)9(11(14)15)13-10(16-12)8-6-4-3-5-7-8/h3-7,9-10,13H,1-2H3,(H,14,15)

InChIKey

LZDQTBBSEWXLTA-UHFFFAOYSA-N

Compound name

5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 25
Patents: 237.08235 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	238.089626	152.3
[M+Na]+	260.071568	159.9
[M-H]-	236.075074	155.4
[M+NH4]+	255.116173	171.8
[M+K]+	276.045508	155.7
[M+H-H2O]+	220.079610	147.1
[M+HCOO]-	282.080551	165.6
[M+CH3COO]-	296.096201	183.8
[M+Na-2H]-	258.057016	152.1
[M]+	237.08180142	150.7
[M]-	237.08289858	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe