CID 198462

63919-07-3

Structural Information

Molecular Formula

C₆H₁₁NO₂S

SMILES

CCC1(NCCS1)C(=O)O

InChI

InChI=1S/C6H11NO2S/c1-2-6(5(8)9)7-3-4-10-6/h7H,2-4H2,1H3,(H,8,9)

InChIKey

FJIQTPGTRICJON-UHFFFAOYSA-N

Compound name

2-ethyl-1,3-thiazolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 161.05106 Da
Monoisotopic Mass: -1.6
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	133.9
[M+Na]+	184.040278	140.6
[M-H]-	160.043784	133.3
[M+NH4]+	179.084883	156.0
[M+K]+	200.014218	138.6
[M+H-H2O]+	144.048320	129.6
[M+HCOO]-	206.049261	147.3
[M+CH3COO]-	220.064911	167.9
[M+Na-2H]-	182.025726	135.3
[M]+	161.05051142	131.6
[M]-	161.05160858	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe