CID 13748463

2h,4h,5h,6h,7h,7ah-thieno[3,2-c]pyridin-2-one hydrochloride

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

246
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 129.9
[M+Na]+ 178.02970 137.9
[M-H]- 154.03320 131.6
[M+NH4]+ 173.07430 152.5
[M+K]+ 194.00364 134.9
[M+H-H2O]+ 138.03774 125.0
[M+HCOO]- 200.03868 144.1
[M+CH3COO]- 214.05433 142.8
[M+Na-2H]- 176.01515 132.5
[M]+ 155.03993 126.8
[M]- 155.04103 126.8
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