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 158.7
[M+Na]+ 277.14709 162.6
[M-H]- 253.15059 161.9
[M+NH4]+ 272.19169 177.5
[M+K]+ 293.12103 153.6
[M+H-H2O]+ 237.15513 155.0
[M+HCOO]- 299.15607 170.6
[M+CH3COO]- 313.17172 182.6
[M+Na-2H]- 275.13254 160.3
[M]+ 254.15732 154.7
[M]- 254.15842 154.7
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.