CID 19847314

4-(thiophen-3-yl)piperidine

Structural Information

Molecular Formula
C9H13NS
SMILES
C1CNCCC1C2=CSC=C2
InChI
InChI=1S/C9H13NS/c1-4-10-5-2-8(1)9-3-6-11-7-9/h3,6-8,10H,1-2,4-5H2
InChIKey
KTOGEYCNOXECIU-UHFFFAOYSA-N
Compound name
4-thiophen-3-ylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

167.07687 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.084146 135.1
[M+Na]+ 190.066088 141.2
[M-H]- 166.069594 138.7
[M+NH4]+ 185.110693 155.7
[M+K]+ 206.040028 137.8
[M+H-H2O]+ 150.074130 128.9
[M+HCOO]- 212.075071 150.0
[M+CH3COO]- 226.090721 147.3
[M+Na-2H]- 188.051536 136.5
[M]+ 167.07632142 130.2
[M]- 167.07741858 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