CID 6484165

91246-63-8

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

C1CC(OC1)COC2=CC=C(C=C2)N

InChI

InChI=1S/C11H15NO2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h3-6,11H,1-2,7-8,12H2

InChIKey

BDTTYRMUFWQXNJ-UHFFFAOYSA-N

Compound name

4-(oxolan-2-ylmethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 46
Patents: 193.11028 Da
Monoisotopic Mass: 1.6
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]+	194.11756	141.4
[M+Na]+	216.09950	147.2
[M-H]-	192.10300	147.9
[M+NH4]+	211.14410	160.5
[M+K]+	232.07344	146.1
[M+H-H2O]+	176.10754	134.8
[M+HCOO]-	238.10848	164.6
[M+CH3COO]-	252.12413	182.9
[M+Na-2H]-	214.08495	146.2
[M]+	193.10973	139.5
[M]-	193.11083	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe