CID 71742396

3-benzylcyclobutan-1-amine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

C1C(CC1N)CC2=CC=CC=C2

InChI

InChI=1S/C11H15N/c12-11-7-10(8-11)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2

InChIKey

MUEQYQYEFFZRTO-UHFFFAOYSA-N

Compound name

3-benzylcyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 161.12045 Da
Monoisotopic Mass: 2.1
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]+	162.12773	133.0
[M+Na]+	184.10967	138.2
[M-H]-	160.11317	138.9
[M+NH4]+	179.15427	146.9
[M+K]+	200.08361	138.6
[M+H-H2O]+	144.11771	121.5
[M+HCOO]-	206.11865	155.6
[M+CH3COO]-	220.13430	184.1
[M+Na-2H]-	182.09512	138.5
[M]+	161.11990	138.1
[M]-	161.12100	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.