CID 18525860

[2-(tetrahydropyran-4-yloxy)phenyl]methylamine

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

C1COCCC1OC2=CC=CC=C2CN

InChI

InChI=1S/C12H17NO2/c13-9-10-3-1-2-4-12(10)15-11-5-7-14-8-6-11/h1-4,11H,5-9,13H2

InChIKey

RYSYBWINUIGVGZ-UHFFFAOYSA-N

Compound name

[2-(oxan-4-yloxy)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 207.12593 Da
Monoisotopic Mass: 1.2
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]+	208.13321	146.2
[M+Na]+	230.11515	150.7
[M-H]-	206.11865	152.2
[M+NH4]+	225.15975	162.8
[M+K]+	246.08909	149.5
[M+H-H2O]+	190.12319	138.8
[M+HCOO]-	252.12413	166.9
[M+CH3COO]-	266.13978	186.4
[M+Na-2H]-	228.10060	151.9
[M]+	207.12538	142.5
[M]-	207.12648	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe