CID 99794

6722-47-0

Structural Information

Molecular Formula

C₁₅H₂₃NO

SMILES

CCOC(CN1CCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C15H23NO/c1-2-17-15(14-9-5-3-6-10-14)13-16-11-7-4-8-12-16/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3

InChIKey

DJPRTXZOLYBPCP-UHFFFAOYSA-N

Compound name

1-(2-ethoxy-2-phenylethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 233.17796 Da
Monoisotopic Mass: 2.9
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]+	234.18524	157.1
[M+Na]+	256.16718	159.7
[M-H]-	232.17068	160.5
[M+NH4]+	251.21178	172.7
[M+K]+	272.14112	157.1
[M+H-H2O]+	216.17522	148.3
[M+HCOO]-	278.17616	174.6
[M+CH3COO]-	292.19181	191.6
[M+Na-2H]-	254.15263	160.3
[M]+	233.17741	153.4
[M]-	233.17851	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe