CID 5370575

1,3-oxazinane-2-thione

Structural Information

Molecular Formula
C4H7NOS
SMILES
C1CNC(=S)OC1
InChI
InChI=1S/C4H7NOS/c7-4-5-2-1-3-6-4/h1-3H2,(H,5,7)
InChIKey
OCWDJXKSTXCEOU-UHFFFAOYSA-N
Compound name
1,3-oxazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

117.02483 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.032106 119.8
[M+Na]+ 140.014048 126.5
[M-H]- 116.017554 121.1
[M+NH4]+ 135.058653 139.4
[M+K]+ 155.987988 125.5
[M+H-H2O]+ 100.022090 114.5
[M+HCOO]- 162.023031 133.3
[M+CH3COO]- 176.038681 162.2
[M+Na-2H]- 137.999496 124.6
[M]+ 117.02428142 115.7
[M]- 117.02537858 115.7
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

patents stripe