CID 12104169

Trans-3-(benzyloxy)cyclobutanamine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1C(CC1OCC2=CC=CC=C2)N

InChI

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

InChIKey

GYSQDBGCDZWPMQ-UHFFFAOYSA-N

Compound name

3-phenylmethoxycyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 177.11537 Da
Monoisotopic Mass: 1.3
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	138.0
[M+Na]+	200.10459	145.5
[M+NH4]+	195.14919	143.3
[M+K]+	216.07853	140.7
[M-H]-	176.10809	139.7
[M+Na-2H]-	198.09004	143.4
[M]+	177.11482	138.3
[M]-	177.11592	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe