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: 15
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]+	180.10192	138.0
[M+Na]+	202.08386	149.1
[M+NH4]+	197.12846	147.0
[M+K]+	218.05780	145.2
[M-H]-	178.08736	143.3
[M+Na-2H]-	200.06931	144.7
[M]+	179.09409	140.9
[M]-	179.09519	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe