CID 11959630

16771-90-7

Structural Information

Molecular Formula

C₁₄H₁₉NO

SMILES

CC(CC1=CC=CC=C1)N2CCC(=O)CC2

InChI

InChI=1S/C14H19NO/c1-12(11-13-5-3-2-4-6-13)15-9-7-14(16)8-10-15/h2-6,12H,7-11H2,1H3

InChIKey

GGUGTDILXPSMFH-UHFFFAOYSA-N

Compound name

1-(1-phenylpropan-2-yl)piperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.14667 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]+	218.15395	151.0
[M+Na]+	240.13589	155.4
[M-H]-	216.13939	155.2
[M+NH4]+	235.18049	167.6
[M+K]+	256.10983	152.4
[M+H-H2O]+	200.14393	142.9
[M+HCOO]-	262.14487	169.1
[M+CH3COO]-	276.16052	188.8
[M+Na-2H]-	238.12134	154.1
[M]+	217.14612	146.7
[M]-	217.14722	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe