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

2
Patents

119.04048 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.04776 121.9
[M+Na]+ 142.02970 129.2
[M-H]- 118.03320 123.9
[M+NH4]+ 137.07430 145.5
[M+K]+ 158.00364 127.4
[M+H-H2O]+ 102.03774 117.4
[M+HCOO]- 164.03868 139.5
[M+CH3COO]- 178.05433 165.6
[M+Na-2H]- 140.01515 123.2
[M]+ 119.03993 118.3
[M]- 119.04103 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.