CID 62386922

3-[(oxan-4-yl)methoxy]aniline

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

C1COCCC1COC2=CC=CC(=C2)N

InChI

InChI=1S/C12H17NO2/c13-11-2-1-3-12(8-11)15-9-10-4-6-14-7-5-10/h1-3,8,10H,4-7,9,13H2

InChIKey

HVZQKDPASDKATD-UHFFFAOYSA-N

Compound name

3-(oxan-4-ylmethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.12593 Da
Monoisotopic Mass: 1.8
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]+	208.13321	147.0
[M+Na]+	230.11515	158.9
[M+NH4]+	225.15975	155.9
[M+K]+	246.08909	152.3
[M-H]-	206.11865	153.1
[M+Na-2H]-	228.10060	154.1
[M]+	207.12538	150.3
[M]-	207.12648	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe