CID 1361795

30461-27-9

Structural Information

Molecular Formula
C4H9NOS
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

3
Patents

119.04048 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.047756 121.9
[M+Na]+ 142.029698 129.2
[M-H]- 118.033204 123.9
[M+NH4]+ 137.074303 145.5
[M+K]+ 158.003638 127.4
[M+H-H2O]+ 102.037740 117.4
[M+HCOO]- 164.038681 139.5
[M+CH3COO]- 178.054331 165.6
[M+Na-2H]- 140.015146 123.2
[M]+ 119.03993142 118.3
[M]- 119.04102858 118.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.