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]+ 178.032116 133.3
[M+Na]+ 200.014058 144.7
[M-H]- 176.017564 137.8
[M+NH4]+ 195.058663 156.1
[M+K]+ 215.987998 141.7
[M+H-H2O]+ 160.022100 127.9
[M+HCOO]- 222.023041 153.1
[M+CH3COO]- 236.038691 148.2
[M+Na-2H]- 197.999506 138.0
[M]+ 177.02429142 137.8
[M]- 177.02538858 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