CID 12147988

93778-71-3

Structural Information

Molecular Formula

C₁₅H₂₃NO

SMILES

C1CCN(CC1)CCC(=O)C2CC3CC2C=C3

InChI

InChI=1S/C15H23NO/c17-15(6-9-16-7-2-1-3-8-16)14-11-12-4-5-13(14)10-12/h4-5,12-14H,1-3,6-11H2

InChIKey

KRQADKCTBWUTRW-UHFFFAOYSA-N

Compound name

1-(2-bicyclo[2.2.1]hept-5-enyl)-3-piperidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 233.17796 Da
Monoisotopic Mass: 2.1
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]+	234.185236	159.2
[M+Na]+	256.167178	162.6
[M-H]-	232.170684	162.5
[M+NH4]+	251.211783	180.2
[M+K]+	272.141118	159.4
[M+H-H2O]+	216.175220	152.3
[M+HCOO]-	278.176161	175.2
[M+CH3COO]-	292.191811	191.5
[M+Na-2H]-	254.152626	158.1
[M]+	233.17741142	154.7
[M]-	233.17850858	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe