CID 82653677

2287259-45-2

Structural Information

Molecular Formula

C₇H₁₃NO₂S

SMILES

C1CSCC1CC(C(=O)O)N

InChI

InChI=1S/C7H13NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h5-6H,1-4,8H2,(H,9,10)

InChIKey

DJUYAFZWAGJKJX-UHFFFAOYSA-N

Compound name

2-amino-3-(thiolan-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 175.0667 Da
Monoisotopic Mass: -2.0
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]+	176.07398	138.3
[M+Na]+	198.05592	144.2
[M+NH4]+	193.10052	145.9
[M+K]+	214.02986	140.8
[M-H]-	174.05942	138.3
[M+Na-2H]-	196.04137	139.8
[M]+	175.06615	139.0
[M]-	175.06725	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe