CID 20346858

68559-60-4

Structural Information

Molecular Formula
C7H7NOS
SMILES
C1CNC(=O)C2=C1SC=C2
InChI
InChI=1S/C7H7NOS/c9-7-5-2-4-10-6(5)1-3-8-7/h2,4H,1,3H2,(H,8,9)
InChIKey
SFNZVNVCJWVPDM-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

153.02484 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.03212 128.1
[M+Na]+ 176.01406 137.2
[M-H]- 152.01756 130.3
[M+NH4]+ 171.05866 150.9
[M+K]+ 191.98800 133.9
[M+H-H2O]+ 136.02210 123.3
[M+HCOO]- 198.02304 143.8
[M+CH3COO]- 212.03869 141.7
[M+Na-2H]- 173.99951 131.8
[M]+ 153.02429 126.5
[M]- 153.02539 126.5
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