CID 3704

Indeloxazine

Structural Information

Molecular Formula

C₁₄H₁₇NO₂

SMILES

C1COC(CN1)COC2=CC=CC3=C2CC=C3

InChI

InChI=1S/C14H17NO2/c1-3-11-4-2-6-14(13(11)5-1)17-10-12-9-15-7-8-16-12/h1-4,6,12,15H,5,7-10H2

InChIKey

MADRVGBADLFHMO-UHFFFAOYSA-N

Compound name

2-(3H-inden-4-yloxymethyl)morpholine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 57
References: 6427
Patents: 231.12593 Da
Monoisotopic Mass: 1.9
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]+	232.13321	152.7
[M+Na]+	254.11515	165.0
[M+NH4]+	249.15975	161.8
[M+K]+	270.08909	159.7
[M-H]-	230.11865	157.5
[M+Na-2H]-	252.10060	158.6
[M]+	231.12538	155.8
[M]-	231.12648	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe