CID 24273627

14006-31-6

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1COCCC1(C2=CC=CC=C2)N

InChI

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

InChIKey

FOYWQFRQKUWGJH-UHFFFAOYSA-N

Compound name

4-phenyloxan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 177.11537 Da
Monoisotopic Mass: 1.0
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	138.8
[M+Na]+	200.10459	143.9
[M-H]-	176.10809	145.1
[M+NH4]+	195.14919	158.5
[M+K]+	216.07853	142.7
[M+H-H2O]+	160.11263	132.3
[M+HCOO]-	222.11357	159.7
[M+CH3COO]-	236.12922	151.4
[M+Na-2H]-	198.09004	146.7
[M]+	177.11482	133.2
[M]-	177.11592	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe