CID 81397

4-phenyl-4-piperidinecarboxaldehyde

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

C1CNCCC1(C=O)C2=CC=CC=C2

InChI

InChI=1S/C12H15NO/c14-10-12(6-8-13-9-7-12)11-4-2-1-3-5-11/h1-5,10,13H,6-9H2

InChIKey

XCENPWBBAXQVCG-UHFFFAOYSA-N

Compound name

4-phenylpiperidine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1924
Patents: 189.11537 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	190.12265	143.2
[M+Na]+	212.10459	148.4
[M-H]-	188.10809	146.3
[M+NH4]+	207.14919	162.1
[M+K]+	228.07853	144.8
[M+H-H2O]+	172.11263	135.9
[M+HCOO]-	234.11357	161.6
[M+CH3COO]-	248.12922	177.8
[M+Na-2H]-	210.09004	149.8
[M]+	189.11482	136.9
[M]-	189.11592	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe