CID 47168

64058-44-2

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

CC(=O)C1(CCN(CC1)C)C2=CC(=CC=C2)O

InChI

InChI=1S/C14H19NO2/c1-11(16)14(6-8-15(2)9-7-14)12-4-3-5-13(17)10-12/h3-5,10,17H,6-9H2,1-2H3

InChIKey

RNAGZQQIHXIDQH-UHFFFAOYSA-N

Compound name

1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 233.14159 Da
Monoisotopic Mass: 0.5
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]+	234.14887	154.1
[M+Na]+	256.13081	160.0
[M-H]-	232.13431	157.8
[M+NH4]+	251.17541	171.8
[M+K]+	272.10475	157.1
[M+H-H2O]+	216.13885	147.1
[M+HCOO]-	278.13979	171.0
[M+CH3COO]-	292.15544	189.0
[M+Na-2H]-	254.11626	157.3
[M]+	233.14104	150.3
[M]-	233.14214	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe