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: 7124
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	150.9
[M+Na]+	254.11515	156.3
[M-H]-	230.11865	155.5
[M+NH4]+	249.15975	167.8
[M+K]+	270.08909	153.5
[M+H-H2O]+	214.12319	143.4
[M+HCOO]-	276.12413	168.3
[M+CH3COO]-	290.13978	162.2
[M+Na-2H]-	252.10060	155.9
[M]+	231.12538	147.7
[M]-	231.12648	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe