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: 34
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	138.5
[M+Na]+	200.10459	143.6
[M-H]-	176.10809	144.8
[M+NH4]+	195.14919	156.5
[M+K]+	216.07853	142.1
[M+H-H2O]+	160.11263	131.6
[M+HCOO]-	222.11357	159.4
[M+CH3COO]-	236.12922	181.3
[M+Na-2H]-	198.09004	144.7
[M]+	177.11482	133.0
[M]-	177.11592	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe