CID 583513

14347-74-1

Structural Information

Molecular Formula

C₁₀H₁₉NO₂S

SMILES

CCCCCCC1NC(CS1)C(=O)O

InChI

InChI=1S/C10H19NO2S/c1-2-3-4-5-6-9-11-8(7-14-9)10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)

InChIKey

HKDGCSSFNOHHPI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 3
Patents: 217.11365 Da
Monoisotopic Mass: 0.6
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]+	218.12093	151.8
[M+Na]+	240.10287	156.8
[M-H]-	216.10637	150.5
[M+NH4]+	235.14747	169.9
[M+K]+	256.07681	153.5
[M+H-H2O]+	200.11091	145.9
[M+HCOO]-	262.11185	163.8
[M+CH3COO]-	276.12750	181.5
[M+Na-2H]-	238.08832	149.0
[M]+	217.11310	150.9
[M]-	217.11420	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe