CID 19095574

198334-38-2

Structural Information

Molecular Formula
C9H13NS
SMILES
C1CNCCC1C2=CC=CS2
InChI
InChI=1S/C9H13NS/c1-2-9(11-7-1)8-3-5-10-6-4-8/h1-2,7-8,10H,3-6H2
InChIKey
SLQVNTKKWCOXKW-UHFFFAOYSA-N
Compound name
4-thiophen-2-ylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

167.07687 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08415 135.1
[M+Na]+ 190.06609 141.2
[M-H]- 166.06959 138.7
[M+NH4]+ 185.11069 155.7
[M+K]+ 206.04003 137.8
[M+H-H2O]+ 150.07413 128.9
[M+HCOO]- 212.07507 150.0
[M+CH3COO]- 226.09072 147.3
[M+Na-2H]- 188.05154 136.5
[M]+ 167.07632 130.2
[M]- 167.07742 130.2
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