CID 1361795

30461-27-9

Structural Information

Molecular Formula

SMILES

C1[C@H]([C@H](CS1)O)N

InChI

InChI=1S/C4H9NOS/c5-3-1-7-2-4(3)6/h3-4,6H,1-2,5H2/t3-,4+/m1/s1

InChIKey

LNYNSKJTNYTLNL-DMTCNVIQSA-N

Compound name

(3R,4S)-4-aminothiolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 119.04048 Da
Monoisotopic Mass: -0.8
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]+	120.04776	121.6
[M+Na]+	142.02970	129.8
[M+NH4]+	137.07430	130.9
[M+K]+	158.00364	125.2
[M-H]-	118.03320	123.1
[M+Na-2H]-	140.01515	124.9
[M]+	119.03993	123.3
[M]-	119.04103	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.