CID 6485296

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

Structural Information

Molecular Formula
C9H13NS
SMILES
CCC1C2=C(CCN1)SC=C2
InChI
InChI=1S/C9H13NS/c1-2-8-7-4-6-11-9(7)3-5-10-8/h4,6,8,10H,2-3,5H2,1H3
InChIKey
URYVPKBHQRLGHP-UHFFFAOYSA-N
Compound name
4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

167.07687 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.084146 134.3
[M+Na]+ 190.066088 142.3
[M-H]- 166.069594 136.1
[M+NH4]+ 185.110693 156.7
[M+K]+ 206.040028 138.7
[M+H-H2O]+ 150.074130 129.1
[M+HCOO]- 212.075071 148.9
[M+CH3COO]- 226.090721 147.1
[M+Na-2H]- 188.051536 136.8
[M]+ 167.07632142 132.6
[M]- 167.07741858 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe