CID 12337025

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

Structural Information

Molecular Formula
C7H9NS
SMILES
C1CNCC2=C1C=CS2
InChI
InChI=1S/C7H9NS/c1-3-8-5-7-6(1)2-4-9-7/h2,4,8H,1,3,5H2
InChIKey
HXNOEHIMWZDRTK-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydrothieno[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

645
Patents

139.04558 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05286 125.4
[M+Na]+ 162.03480 133.4
[M-H]- 138.03830 127.2
[M+NH4]+ 157.07940 148.6
[M+K]+ 178.00874 130.4
[M+H-H2O]+ 122.04284 120.3
[M+HCOO]- 184.04378 140.7
[M+CH3COO]- 198.05943 138.7
[M+Na-2H]- 160.02025 129.6
[M]+ 139.04503 122.6
[M]- 139.04613 122.6
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