CID 17039489

150019-61-7

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

COC1=CC=CC(=C1)CC2CCNCC2

InChI

InChI=1S/C13H19NO/c1-15-13-4-2-3-12(10-13)9-11-5-7-14-8-6-11/h2-4,10-11,14H,5-9H2,1H3

InChIKey

VFWKXVIOKYFWIE-UHFFFAOYSA-N

Compound name

4-[(3-methoxyphenyl)methyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 205.14667 Da
Monoisotopic Mass: 2.5
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]+	206.153946	148.0
[M+Na]+	228.135888	152.4
[M-H]-	204.139394	150.8
[M+NH4]+	223.180493	164.6
[M+K]+	244.109828	148.9
[M+H-H2O]+	188.143930	140.2
[M+HCOO]-	250.144871	165.8
[M+CH3COO]-	264.160521	183.2
[M+Na-2H]-	226.121336	152.4
[M]+	205.14612142	142.8
[M]-	205.14721858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe