CID 10332290

Schembl2739015

Structural Information

Molecular Formula

C₁₄H₁₉NO₃

SMILES

COC(=O)C(C1CCCCN1)C2=CC=C(C=C2)O

InChI

InChI=1S/C14H19NO3/c1-18-14(17)13(12-4-2-3-9-15-12)10-5-7-11(16)8-6-10/h5-8,12-13,15-16H,2-4,9H2,1H3

InChIKey

XVXFNANJMMTNSO-UHFFFAOYSA-N

Compound name

methyl 2-(4-hydroxyphenyl)-2-piperidin-2-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 249.13649 Da
Monoisotopic Mass: -0.2
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]+	250.14377	158.7
[M+Na]+	272.12571	168.8
[M+NH4]+	267.17031	165.4
[M+K]+	288.09965	163.8
[M-H]-	248.12921	160.2
[M+Na-2H]-	270.11116	163.6
[M]+	249.13594	160.2
[M]-	249.13704	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe