CID 21427056

53943-83-2

Structural Information

Molecular Formula

C₇H₁₃NO₂S₂

SMILES

CSCCC1NC(CS1)C(=O)O

InChI

InChI=1S/C7H13NO2S2/c1-11-3-2-6-8-5(4-12-6)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)

InChIKey

HNYDDPYIPQVLDL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.03877 Da
Monoisotopic Mass: -1.3
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]+	208.04605	143.5
[M+Na]+	230.02799	149.9
[M-H]-	206.03149	142.5
[M+NH4]+	225.07259	162.2
[M+K]+	246.00193	146.0
[M+H-H2O]+	190.03603	138.4
[M+HCOO]-	252.03697	150.9
[M+CH3COO]-	266.05262	177.5
[M+Na-2H]-	228.01344	140.4
[M]+	207.03822	142.6
[M]-	207.03932	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe