CID 165787888

3-[amino(phenyl)methyl]oxetan-3-ol

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1C(CO1)(C(C2=CC=CC=C2)N)O

InChI

InChI=1S/C10H13NO2/c11-9(10(12)6-13-7-10)8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2

InChIKey

MDKKLRFOOBYPLM-UHFFFAOYSA-N

Compound name

3-[amino(phenyl)methyl]oxetan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.09464 Da
Monoisotopic Mass: -0.4
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]+	180.101916	138.4
[M+Na]+	202.083858	142.9
[M-H]-	178.087364	143.7
[M+NH4]+	197.128463	150.9
[M+K]+	218.057798	145.3
[M+H-H2O]+	162.091900	127.4
[M+HCOO]-	224.092841	158.2
[M+CH3COO]-	238.108491	182.0
[M+Na-2H]-	200.069306	145.0
[M]+	179.09409142	143.9
[M]-	179.09518858	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.