CID 82410426

1-{thieno[2,3-c]pyridin-2-yl}ethan-1-one

Structural Information

Molecular Formula
C9H7NOS
SMILES
CC(=O)C1=CC2=C(S1)C=NC=C2
InChI
InChI=1S/C9H7NOS/c1-6(11)8-4-7-2-3-10-5-9(7)12-8/h2-5H,1H3
InChIKey
IDGAFMKNYJNWLE-UHFFFAOYSA-N
Compound name
1-thieno[2,3-c]pyridin-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

177.02484 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.03212 134.0
[M+Na]+ 200.01406 147.7
[M+NH4]+ 195.05866 143.9
[M+K]+ 215.98800 140.7
[M-H]- 176.01756 136.4
[M+Na-2H]- 197.99951 140.8
[M]+ 177.02429 137.2
[M]- 177.02539 137.2
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