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]+ 232.11545 149.8
[M+Na]+ 254.09739 157.3
[M-H]- 230.10089 154.5
[M+NH4]+ 249.14199 169.3
[M+K]+ 270.07133 151.6
[M+H-H2O]+ 214.10543 143.3
[M+HCOO]- 276.10637 164.5
[M+CH3COO]- 290.12202 161.6
[M+Na-2H]- 252.08284 152.3
[M]+ 231.10762 147.4
[M]- 231.10872 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.