CID 3062536

1-butyl-4-formyl-1-methyl-4-phenylpiperidinium iodide

Structural Information

Molecular Formula
C17H26NO
SMILES
CCCC[N+]1(CCC(CC1)(C=O)C2=CC=CC=C2)C
InChI
InChI=1S/C17H26NO/c1-3-4-12-18(2)13-10-17(15-19,11-14-18)16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3/q+1
InChIKey
ZLDHRJJXTOATLC-UHFFFAOYSA-N
Compound name
1-butyl-1-methyl-4-phenylpiperidin-1-ium-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.20145 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.20873 163.3
[M+Na]+ 283.19067 168.5
[M-H]- 259.19417 167.9
[M+NH4]+ 278.23527 182.3
[M+K]+ 299.16461 159.4
[M+H-H2O]+ 243.19871 158.4
[M+HCOO]- 305.19965 181.1
[M+CH3COO]- 319.21530 189.6
[M+Na-2H]- 281.17612 170.3
[M]+ 260.20090 159.8
[M]- 260.20200 159.8
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.