CID 417392

1888-09-1

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

CCOC1(CCNCC1)C2=CC=CC=C2

InChI

InChI=1S/C13H19NO/c1-2-15-13(8-10-14-11-9-13)12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3

InChIKey

GMBVQDPSOSICDP-UHFFFAOYSA-N

Compound name

4-ethoxy-4-phenylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 205.14667 Da
Monoisotopic Mass: 1.9
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]+	206.153946	148.7
[M+Na]+	228.135888	153.2
[M-H]-	204.139394	151.6
[M+NH4]+	223.180493	167.0
[M+K]+	244.109828	149.9
[M+H-H2O]+	188.143930	141.2
[M+HCOO]-	250.144871	166.6
[M+CH3COO]-	264.160521	181.7
[M+Na-2H]-	226.121336	154.8
[M]+	205.14612142	143.5
[M]-	205.14721858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe