CID 16784344

953883-20-0

Structural Information

Molecular Formula

C₁₃H₁₅NO₂

SMILES

C1=CC(=CC(=C1)COCC2=CC=CO2)CN

InChI

InChI=1S/C13H15NO2/c14-8-11-3-1-4-12(7-11)9-15-10-13-5-2-6-16-13/h1-7H,8-10,14H2

InChIKey

UXWFJCHWUYCJKM-UHFFFAOYSA-N

Compound name

[3-(furan-2-ylmethoxymethyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 217.11028 Da
Monoisotopic Mass: 1.0
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]+	218.11756	147.7
[M+Na]+	240.09950	154.8
[M-H]-	216.10300	154.6
[M+NH4]+	235.14410	166.0
[M+K]+	256.07344	152.8
[M+H-H2O]+	200.10754	140.7
[M+HCOO]-	262.10848	173.2
[M+CH3COO]-	276.12413	188.3
[M+Na-2H]-	238.08495	153.3
[M]+	217.10973	149.4
[M]-	217.11083	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe