CID 22361236

N-phenyloxan-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: 42
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]+	178.122646	137.7
[M+Na]+	200.104588	141.7
[M-H]-	176.108094	144.0
[M+NH4]+	195.149193	155.5
[M+K]+	216.078528	140.6
[M+H-H2O]+	160.112630	130.5
[M+HCOO]-	222.113571	159.2
[M+CH3COO]-	236.129221	180.8
[M+Na-2H]-	198.090036	145.7
[M]+	177.11482142	132.8
[M]-	177.11591858	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe