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]+ 168.08415 134.3
[M+Na]+ 190.06609 142.3
[M-H]- 166.06959 136.1
[M+NH4]+ 185.11069 156.7
[M+K]+ 206.04003 138.7
[M+H-H2O]+ 150.07413 129.1
[M+HCOO]- 212.07507 148.9
[M+CH3COO]- 226.09072 147.1
[M+Na-2H]- 188.05154 136.8
[M]+ 167.07632 132.6
[M]- 167.07742 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.