CID 53256999

1332765-59-9

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

COC1=CC=C(C=C1)C2(COC2)N

InChI

InChI=1S/C10H13NO2/c1-12-9-4-2-8(3-5-9)10(11)6-13-7-10/h2-5H,6-7,11H2,1H3

InChIKey

UMPHCZDCSRSELT-UHFFFAOYSA-N

Compound name

3-(4-methoxyphenyl)oxetan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.09464 Da
Monoisotopic Mass: 0.2
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]+	180.10192	134.8
[M+Na]+	202.08386	141.1
[M-H]-	178.08736	141.9
[M+NH4]+	197.12846	148.6
[M+K]+	218.05780	143.9
[M+H-H2O]+	162.09190	124.0
[M+HCOO]-	224.09284	157.2
[M+CH3COO]-	238.10849	184.7
[M+Na-2H]-	200.06931	142.8
[M]+	179.09409	143.3
[M]-	179.09519	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.