CID 64158145

1607261-55-1

Structural Information

Molecular Formula
C14H17NS
SMILES
C1CC(CNC1)CC2=CSC3=CC=CC=C32
InChI
InChI=1S/C14H17NS/c1-2-6-14-13(5-1)12(10-16-14)8-11-4-3-7-15-9-11/h1-2,5-6,10-11,15H,3-4,7-9H2
InChIKey
WAMZCTCAQXKTHH-UHFFFAOYSA-N
Compound name
3-(1-benzothiophen-3-ylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10817 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.115446 149.8
[M+Na]+ 254.097388 157.3
[M-H]- 230.100894 154.5
[M+NH4]+ 249.141993 169.3
[M+K]+ 270.071328 151.6
[M+H-H2O]+ 214.105430 143.3
[M+HCOO]- 276.106371 164.5
[M+CH3COO]- 290.122021 161.6
[M+Na-2H]- 252.082836 152.3
[M]+ 231.10762142 147.4
[M]- 231.10871858 147.4
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

No patent data available for this compound.