CID 56604181

1439900-28-3

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1C(CO1)OC2=CC=C(C=C2)CN

InChI

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

InChIKey

DJBYTGDFBZCFDU-UHFFFAOYSA-N

Compound name

[4-(oxetan-3-yloxy)phenyl]methanamine

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	133.0
[M+Na]+	202.083858	138.3
[M-H]-	178.087364	139.6
[M+NH4]+	197.128463	144.7
[M+K]+	218.057798	141.1
[M+H-H2O]+	162.091900	121.1
[M+HCOO]-	224.092841	155.4
[M+CH3COO]-	238.108491	185.1
[M+Na-2H]-	200.069306	140.0
[M]+	179.09409142	141.2
[M]-	179.09518858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.