CID 12885494

1-{thieno[3,2-b]pyridin-6-yl}ethan-1-one

Structural Information

Molecular Formula
C9H7NOS
SMILES
CC(=O)C1=CC2=C(C=CS2)N=C1
InChI
InChI=1S/C9H7NOS/c1-6(11)7-4-9-8(10-5-7)2-3-12-9/h2-5H,1H3
InChIKey
XDOMVPLWPJTUMI-UHFFFAOYSA-N
Compound name
1-thieno[3,2-b]pyridin-6-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.02484 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.03212 133.3
[M+Na]+ 200.01406 144.7
[M-H]- 176.01756 137.8
[M+NH4]+ 195.05866 156.1
[M+K]+ 215.98800 141.7
[M+H-H2O]+ 160.02210 127.9
[M+HCOO]- 222.02304 153.1
[M+CH3COO]- 236.03869 148.2
[M+Na-2H]- 197.99951 138.0
[M]+ 177.02429 137.8
[M]- 177.02539 137.8
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