CID 22361236

N-phenyltetrahydro-2h-pyran-4-amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1COCCC1NC2=CC=CC=C2

InChI

InChI=1S/C11H15NO/c1-2-4-10(5-3-1)12-11-6-8-13-9-7-11/h1-5,11-12H,6-9H2

InChIKey

CLJVGDCRSDRHTR-UHFFFAOYSA-N

Compound name

N-phenyloxan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 177.11537 Da
Monoisotopic Mass: 2.3
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	139.6
[M+Na]+	200.10459	152.2
[M+NH4]+	195.14919	149.5
[M+K]+	216.07853	144.8
[M-H]-	176.10809	146.4
[M+Na-2H]-	198.09004	148.2
[M]+	177.11482	143.3
[M]-	177.11592	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe