CID 107712

Dl-homocysteine thiolactone

Structural Information

Molecular Formula

SMILES

C1CSC(=O)C1N

InChI

InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2

InChIKey

KIWQWJKWBHZMDT-UHFFFAOYSA-N

Compound name

3-aminothiolan-2-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 423
References: 2409
Patents: 117.02483 Da
Monoisotopic Mass: -0.1
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]+	118.03211	121.7
[M+Na]+	140.01405	130.5
[M+NH4]+	135.05865	131.0
[M+K]+	155.98799	125.4
[M-H]-	116.01755	123.5
[M+Na-2H]-	137.99950	125.4
[M]+	117.02428	123.6
[M]-	117.02538	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe