CID 208112

1-(4-hydroxy-4-(3-thienyl)butyl)-1-methylpiperidinium iodide

Structural Information

Molecular Formula
C14H24NOS
SMILES
C[N+]1(CCCCC1)CCCC(C2=CSC=C2)O
InChI
InChI=1S/C14H24NOS/c1-15(8-3-2-4-9-15)10-5-6-14(16)13-7-11-17-12-13/h7,11-12,14,16H,2-6,8-10H2,1H3/q+1
InChIKey
YYUFKLGWIAVFGZ-UHFFFAOYSA-N
Compound name
4-(1-methylpiperidin-1-ium-1-yl)-1-thiophen-3-ylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.15787 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.16515 156.3
[M+Na]+ 277.14709 167.7
[M+NH4]+ 272.19169 167.8
[M+K]+ 293.12103 159.4
[M-H]- 253.15059 160.9
[M+Na-2H]- 275.13254 163.8
[M]+ 254.15732 160.1
[M]- 254.15842 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.