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 159.4
[M+Na]+ 269.16244 163.8
[M-H]- 245.16594 163.1
[M+NH4]+ 264.20704 176.4
[M+K]+ 285.13638 160.0
[M+H-H2O]+ 229.17048 151.2
[M+HCOO]- 291.17142 178.7
[M+CH3COO]- 305.18707 194.8
[M+Na-2H]- 267.14789 163.7
[M]+ 246.17267 154.8
[M]- 246.17377 154.8
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.