CID 18524001

2-(oxan-2-ylmethoxy)aniline

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

C1CCOC(C1)COC2=CC=CC=C2N

InChI

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

InChIKey

AGQGPCQKCZTQJO-UHFFFAOYSA-N

Compound name

2-(oxan-2-ylmethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 207.12593 Da
Monoisotopic Mass: 2.0
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]+	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