CID 55289717

50765-03-2

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

C1C[C@H]([C@@H]1C2=CC=CC=C2)N

InChI

InChI=1S/C10H13N/c11-10-7-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2/t9-,10+/m0/s1

InChIKey

PKMQLQANCCIABY-VHSXEESVSA-N

Compound name

(1R,2S)-2-phenylcyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 147.1048 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]+	148.11208	128.3
[M+Na]+	170.09402	134.0
[M-H]-	146.09752	134.4
[M+NH4]+	165.13862	142.7
[M+K]+	186.06796	134.6
[M+H-H2O]+	130.10206	117.0
[M+HCOO]-	192.10300	151.2
[M+CH3COO]-	206.11865	181.2
[M+Na-2H]-	168.07947	134.4
[M]+	147.10425	133.1
[M]-	147.10535	133.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.