CID 3024947

97595-14-7

Structural Information

Molecular Formula
C16H24NO
SMILES
CCC[N+]1(CCC(CC1)(C=O)C2=CC=CC=C2)C
InChI
InChI=1S/C16H24NO/c1-3-11-17(2)12-9-16(14-18,10-13-17)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3/q+1
InChIKey
BAHGSUWWEXARFV-UHFFFAOYSA-N
Compound name
1-methyl-4-phenyl-1-propylpiperidin-1-ium-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.18579 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.19307 158.8
[M+Na]+ 269.17501 164.4
[M-H]- 245.17851 163.7
[M+NH4]+ 264.21961 178.4
[M+K]+ 285.14895 155.5
[M+H-H2O]+ 229.18305 154.1
[M+HCOO]- 291.18399 176.9
[M+CH3COO]- 305.19964 186.6
[M+Na-2H]- 267.16046 166.3
[M]+ 246.18524 154.9
[M]- 246.18634 154.9
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.