CID 819002

4-(thiophen-3-yl)pyridine

Structural Information

Molecular Formula
C9H7NS
SMILES
C1=CN=CC=C1C2=CSC=C2
InChI
InChI=1S/C9H7NS/c1-4-10-5-2-8(1)9-3-6-11-7-9/h1-7H
InChIKey
HVPPTNADZDAEQR-UHFFFAOYSA-N
Compound name
4-thiophen-3-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

161.02992 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.03720 129.8
[M+Na]+ 184.01914 139.7
[M-H]- 160.02264 136.1
[M+NH4]+ 179.06374 151.8
[M+K]+ 199.99308 136.5
[M+H-H2O]+ 144.02718 123.5
[M+HCOO]- 206.02812 150.6
[M+CH3COO]- 220.04377 144.6
[M+Na-2H]- 182.00459 134.6
[M]+ 161.02937 131.0
[M]- 161.03047 131.0
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