CID 3307484

2-(thiophen-2-yl)piperidine hydrochloride

Structural Information

Molecular Formula
C9H13NS
SMILES
C1CCNC(C1)C2=CC=CS2
InChI
InChI=1S/C9H13NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h3,5,7-8,10H,1-2,4,6H2
InChIKey
IRHBPLJGCWXMPV-UHFFFAOYSA-N
Compound name
2-thiophen-2-ylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

167.07687 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe