CID 64281473

Octahydropyrano[3,4-b]thiomorpholine

Structural Information

Molecular Formula
C7H13NOS
SMILES
C1COCC2C1NCCS2
InChI
InChI=1S/C7H13NOS/c1-3-9-5-7-6(1)8-2-4-10-7/h6-8H,1-5H2
InChIKey
OYZWONKHWLFYPE-UHFFFAOYSA-N
Compound name
1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]thiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

159.0718 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07908 129.8
[M+Na]+ 182.06102 134.3
[M-H]- 158.06452 130.9
[M+NH4]+ 177.10562 148.5
[M+K]+ 198.03496 133.1
[M+H-H2O]+ 142.06906 124.0
[M+HCOO]- 204.07000 139.3
[M+CH3COO]- 218.08565 141.0
[M+Na-2H]- 180.04647 134.7
[M]+ 159.07125 123.7
[M]- 159.07235 123.7
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

patents stripe