CID 23124025

Rac-(2r,4r)-2-phenyloxan-4-amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1COC(CC1N)C2=CC=CC=C2

InChI

InChI=1S/C11H15NO/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2

InChIKey

GAMBPQOUYCSFLZ-UHFFFAOYSA-N

Compound name

2-phenyloxan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 177.11537 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]+	178.12265	139.3
[M+Na]+	200.10459	151.9
[M+NH4]+	195.14919	149.0
[M+K]+	216.07853	145.0
[M-H]-	176.10809	146.0
[M+Na-2H]-	198.09004	147.2
[M]+	177.11482	143.0
[M]-	177.11592	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe