CID 81397

4-phenylpiperidine-4-carbaldehyde

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
3
Annotation Hits

0
References

1460
Patents

189.11537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 143.2
[M+Na]+ 212.104588 148.4
[M-H]- 188.108094 146.3
[M+NH4]+ 207.149193 162.1
[M+K]+ 228.078528 144.8
[M+H-H2O]+ 172.112630 135.9
[M+HCOO]- 234.113571 161.6
[M+CH3COO]- 248.129221 177.8
[M+Na-2H]- 210.090036 149.8
[M]+ 189.11482142 136.9
[M]- 189.11591858 136.9
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

patents stripe