CID 13748463

115473-15-9

Structural Information

Molecular Formula
C7H9NOS
SMILES
C1CNCC2=CC(=O)SC21
InChI
InChI=1S/C7H9NOS/c9-7-3-5-4-8-2-1-6(5)10-7/h3,6,8H,1-2,4H2
InChIKey
PYQVFGJHIWJNFS-UHFFFAOYSA-N
Compound name
5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

245
Patents

155.04048 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 130.5
[M+Na]+ 178.02970 140.7
[M+NH4]+ 173.07430 140.2
[M+K]+ 194.00364 134.5
[M-H]- 154.03320 131.8
[M+Na-2H]- 176.01515 133.9
[M]+ 155.03993 132.6
[M]- 155.04103 132.6
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