CID 138987671

2305254-91-3

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1C(CC1N)COC2=CC=CC=C2

InChI

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

InChIKey

IKRXOEUUTNCUIS-UHFFFAOYSA-N

Compound name

3-(phenoxymethyl)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.11537 Da
Monoisotopic Mass: 1.8
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	135.8
[M+Na]+	200.10459	140.8
[M-H]-	176.10809	141.6
[M+NH4]+	195.14919	148.9
[M+K]+	216.07853	141.7
[M+H-H2O]+	160.11263	123.9
[M+HCOO]-	222.11357	158.5
[M+CH3COO]-	236.12922	186.1
[M+Na-2H]-	198.09004	141.3
[M]+	177.11482	142.3
[M]-	177.11592	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.