CID 63557608

2-(oxolan-3-yloxy)aniline

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1COCC1OC2=CC=CC=C2N

InChI

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

InChIKey

XJVZNNDBFBWNFM-UHFFFAOYSA-N

Compound name

2-(oxolan-3-yloxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 179.09464 Da
Monoisotopic Mass: 1.3
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	136.7
[M+Na]+	202.083858	143.0
[M-H]-	178.087364	143.4
[M+NH4]+	197.128463	156.4
[M+K]+	218.057798	142.2
[M+H-H2O]+	162.091900	130.4
[M+HCOO]-	224.092841	160.3
[M+CH3COO]-	238.108491	179.9
[M+Na-2H]-	200.069306	142.0
[M]+	179.09409142	134.4
[M]-	179.09518858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe