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

50
Patents

153.02484 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.032116 128.1
[M+Na]+ 176.014058 137.2
[M-H]- 152.017564 130.3
[M+NH4]+ 171.058663 150.9
[M+K]+ 191.987998 133.9
[M+H-H2O]+ 136.022100 123.3
[M+HCOO]- 198.023041 143.8
[M+CH3COO]- 212.038691 141.7
[M+Na-2H]- 173.999506 131.8
[M]+ 153.02429142 126.5
[M]- 153.02538858 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