CID 120532

1023-20-7

Structural Information

Molecular Formula

C₁₅H₂₁NO

SMILES

CC1=CC=C(C=C1)C(=O)CCN2CCCCC2

InChI

InChI=1S/C15H21NO/c1-13-5-7-14(8-6-13)15(17)9-12-16-10-3-2-4-11-16/h5-8H,2-4,9-12H2,1H3

InChIKey

XIJVWVVCHCRIID-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 231.16231 Da
Monoisotopic Mass: 2.8
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]+	232.16959	155.6
[M+Na]+	254.15153	159.5
[M-H]-	230.15503	159.5
[M+NH4]+	249.19613	171.6
[M+K]+	270.12547	156.3
[M+H-H2O]+	214.15957	147.2
[M+HCOO]-	276.16051	173.4
[M+CH3COO]-	290.17616	191.8
[M+Na-2H]-	252.13698	158.2
[M]+	231.16176	151.6
[M]-	231.16286	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe