CID 95767

2-[2-(phenylmethoxy)ethyl]pyridine

Structural Information

Molecular Formula

C₁₄H₁₅NO

SMILES

C1=CC=C(C=C1)COCCC2=CC=CC=N2

InChI

InChI=1S/C14H15NO/c1-2-6-13(7-3-1)12-16-11-9-14-8-4-5-10-15-14/h1-8,10H,9,11-12H2

InChIKey

JUKWUVUJUABESO-UHFFFAOYSA-N

Compound name

2-(2-phenylmethoxyethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 213.11537 Da
Monoisotopic Mass: 2.2
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]+	214.12265	147.5
[M+Na]+	236.10459	154.1
[M-H]-	212.10809	152.2
[M+NH4]+	231.14919	164.3
[M+K]+	252.07853	150.5
[M+H-H2O]+	196.11263	139.0
[M+HCOO]-	258.11357	170.8
[M+CH3COO]-	272.12922	186.8
[M+Na-2H]-	234.09004	155.7
[M]+	213.11482	148.4
[M]-	213.11592	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe