CID 3064214

4-piperidinecarboxaldehyde, 1-allyl-4-phenyl-

Structural Information

Molecular Formula
C15H19NO
SMILES
C=CCN1CCC(CC1)(C=O)C2=CC=CC=C2
InChI
InChI=1S/C15H19NO/c1-2-10-16-11-8-15(13-17,9-12-16)14-6-4-3-5-7-14/h2-7,13H,1,8-12H2
InChIKey
LBECMCNMHLWKEY-UHFFFAOYSA-N
Compound name
4-phenyl-1-prop-2-enylpiperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.153946 154.1
[M+Na]+ 252.135888 159.6
[M-H]- 228.139394 158.4
[M+NH4]+ 247.180493 172.3
[M+K]+ 268.109828 155.6
[M+H-H2O]+ 212.143930 146.2
[M+HCOO]- 274.144871 173.2
[M+CH3COO]- 288.160521 189.7
[M+Na-2H]- 250.121336 158.9
[M]+ 229.14612142 150.4
[M]- 229.14721858 150.4
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.