CID 21941464

5-acetyl-4h,5h,6h,7h-thieno[3,2-c]pyridine-2-carbaldehyde

Structural Information

Molecular Formula
C10H11NO2S
SMILES
CC(=O)N1CCC2=C(C1)C=C(S2)C=O
InChI
InChI=1S/C10H11NO2S/c1-7(13)11-3-2-10-8(5-11)4-9(6-12)14-10/h4,6H,2-3,5H2,1H3
InChIKey
ZALLBCKHSBDXCF-UHFFFAOYSA-N
Compound name
5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

209.05106 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05834 145.3
[M+Na]+ 232.04028 155.9
[M+NH4]+ 227.08488 153.9
[M+K]+ 248.01422 149.9
[M-H]- 208.04378 146.2
[M+Na-2H]- 230.02573 148.3
[M]+ 209.05051 147.3
[M]- 209.05161 147.3
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