CID 208110

31648-11-0

Structural Information

Molecular Formula
C13H21NOS
SMILES
C1CCN(CC1)CCCC(C2=CSC=C2)O
InChI
InChI=1S/C13H21NOS/c15-13(12-6-10-16-11-12)5-4-9-14-7-2-1-3-8-14/h6,10-11,13,15H,1-5,7-9H2
InChIKey
MZGKGMBEJWEFID-UHFFFAOYSA-N
Compound name
4-piperidin-1-yl-1-thiophen-3-ylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13438 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.14166 155.8
[M+Na]+ 262.12360 165.0
[M+NH4]+ 257.16820 164.6
[M+K]+ 278.09754 158.3
[M-H]- 238.12710 158.6
[M+Na-2H]- 260.10905 160.6
[M]+ 239.13383 158.2
[M]- 239.13493 158.2
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

No patent data available for this compound.