CID 3049635

2-((1h-inden-4(or 7)-yloxy)methyl)morpholine

Structural Information

Molecular Formula

C₁₄H₁₇NO₂

SMILES

C1COC(CN1)COC2=CC=CC3=C2C=CC3

InChI

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

InChIKey

NWINIMXDTPZGDL-UHFFFAOYSA-N

Compound name

2-(1H-inden-4-yloxymethyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
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]+	232.133206	150.9
[M+Na]+	254.115148	156.3
[M-H]-	230.118654	155.5
[M+NH4]+	249.159753	167.8
[M+K]+	270.089088	153.5
[M+H-H2O]+	214.123190	143.4
[M+HCOO]-	276.124131	168.3
[M+CH3COO]-	290.139781	162.2
[M+Na-2H]-	252.100596	155.9
[M]+	231.12538142	147.7
[M]-	231.12647858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe