CID 65650

Litoxetine

Structural Information

Molecular Formula

C₁₆H₁₉NO

SMILES

C1CNCCC1OCC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C16H19NO/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16/h1-6,11,16-17H,7-10,12H2

InChIKey

MJJDYOLPMGIWND-UHFFFAOYSA-N

Compound name

4-(naphthalen-2-ylmethoxy)piperidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 2943
Patents: 241.14667 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]+	242.153946	155.5
[M+Na]+	264.135888	159.9
[M-H]-	240.139394	158.9
[M+NH4]+	259.180493	171.3
[M+K]+	280.109828	154.8
[M+H-H2O]+	224.143930	146.8
[M+HCOO]-	286.144871	172.0
[M+CH3COO]-	300.160521	165.6
[M+Na-2H]-	262.121336	161.4
[M]+	241.14612142	150.0
[M]-	241.14721858	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe