CID 295859

2-(benzyloxy)pyridine

Structural Information

Molecular Formula

C₁₂H₁₁NO

SMILES

C1=CC=C(C=C1)COC2=CC=CC=N2

InChI

InChI=1S/C12H11NO/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2

InChIKey

FMBDGKGJYMSJKF-UHFFFAOYSA-N

Compound name

2-phenylmethoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 649
Patents: 185.08406 Da
Monoisotopic Mass: 2.7
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]+	186.09134	138.2
[M+Na]+	208.07328	145.7
[M-H]-	184.07678	143.3
[M+NH4]+	203.11788	156.2
[M+K]+	224.04722	142.6
[M+H-H2O]+	168.08132	130.2
[M+HCOO]-	230.08226	162.2
[M+CH3COO]-	244.09791	180.8
[M+Na-2H]-	206.05873	147.6
[M]+	185.08351	138.5
[M]-	185.08461	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe