CID 54593643

Oxan-4-yl(phenyl)methanamine

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1COCCC1C(C2=CC=CC=C2)N

InChI

InChI=1S/C12H17NO/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-5,11-12H,6-9,13H2

InChIKey

NZONHTNKOWGTPR-UHFFFAOYSA-N

Compound name

oxan-4-yl(phenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 191.13101 Da
Monoisotopic Mass: 1.4
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]+	192.13829	144.5
[M+Na]+	214.12023	156.2
[M+NH4]+	209.16483	153.9
[M+K]+	230.09417	149.6
[M-H]-	190.12373	150.9
[M+Na-2H]-	212.10568	152.0
[M]+	191.13046	147.9
[M]-	191.13156	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe