CID 25673

1-(3-aminopropyl)-4-phenylisonipecotaldehyde dihydrochloride

Structural Information

Molecular Formula
C15H22N2O
SMILES
C1CN(CCC1(C=O)C2=CC=CC=C2)CCCN
InChI
InChI=1S/C15H22N2O/c16-9-4-10-17-11-7-15(13-18,8-12-17)14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12,16H2
InChIKey
LMWUPURLTOPVKD-UHFFFAOYSA-N
Compound name
1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 160.4
[M+Na]+ 269.16244 171.7
[M+NH4]+ 264.20704 169.9
[M+K]+ 285.13638 162.1
[M-H]- 245.16594 164.4
[M+Na-2H]- 267.14789 168.7
[M]+ 246.17267 163.2
[M]- 246.17377 163.2
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.