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 156.6
[M+Na]+ 262.12360 160.4
[M-H]- 238.12710 159.5
[M+NH4]+ 257.16820 174.1
[M+K]+ 278.09754 157.0
[M+H-H2O]+ 222.13164 149.5
[M+HCOO]- 284.13258 169.3
[M+CH3COO]- 298.14823 186.6
[M+Na-2H]- 260.10905 155.0
[M]+ 239.13383 153.8
[M]- 239.13493 153.8
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.