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]+ 230.15395 154.1
[M+Na]+ 252.13589 159.6
[M-H]- 228.13939 158.4
[M+NH4]+ 247.18049 172.3
[M+K]+ 268.10983 155.6
[M+H-H2O]+ 212.14393 146.2
[M+HCOO]- 274.14487 173.2
[M+CH3COO]- 288.16052 189.7
[M+Na-2H]- 250.12134 158.9
[M]+ 229.14612 150.4
[M]- 229.14722 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.