CID 49823708

Schembl15655519

Structural Information

Molecular Formula

C₁₈H₂₁NO₂

SMILES

COC(=O)C(C1CCCCN1)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H21NO2/c1-21-18(20)17(16-8-4-5-11-19-16)15-10-9-13-6-2-3-7-14(13)12-15/h2-3,6-7,9-10,12,16-17,19H,4-5,8,11H2,1H3

InChIKey

DNRNSIJBSCBESJ-UHFFFAOYSA-N

Compound name

methyl 2-naphthalen-2-yl-2-piperidin-2-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 283.15723 Da
Monoisotopic Mass: 1.5
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]+	284.164506	167.2
[M+Na]+	306.146448	170.3
[M-H]-	282.149954	170.4
[M+NH4]+	301.191053	181.0
[M+K]+	322.120388	165.9
[M+H-H2O]+	266.154490	158.4
[M+HCOO]-	328.155431	181.3
[M+CH3COO]-	342.171081	198.3
[M+Na-2H]-	304.131896	169.7
[M]+	283.15668142	161.8
[M]-	283.15777858	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe