CID 12104169

3-(benzyloxy)cyclobutan-1-amine 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: 89
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]+	178.122646	135.8
[M+Na]+	200.104588	140.8
[M-H]-	176.108094	141.6
[M+NH4]+	195.149193	148.9
[M+K]+	216.078528	141.7
[M+H-H2O]+	160.112630	123.9
[M+HCOO]-	222.113571	158.5
[M+CH3COO]-	236.129221	186.1
[M+Na-2H]-	198.090036	141.3
[M]+	177.11482142	142.3
[M]-	177.11591858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe