CID 419715

Einecs 254-236-6

Structural Information

Molecular Formula

C₆H₁₁NO₂S

SMILES

CC1(NC(CS1)C(=O)O)C

InChI

InChI=1S/C6H11NO2S/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)

InChIKey

OCQICQZUUHJWGZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 394
Patents: 161.05106 Da
Monoisotopic Mass: -1.7
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]+	162.058336	133.0
[M+Na]+	184.040278	140.6
[M-H]-	160.043784	132.7
[M+NH4]+	179.084883	155.3
[M+K]+	200.014218	138.5
[M+H-H2O]+	144.048320	129.0
[M+HCOO]-	206.049261	146.3
[M+CH3COO]-	220.064911	169.1
[M+Na-2H]-	182.025726	133.8
[M]+	161.05051142	131.0
[M]-	161.05160858	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe