CID 3054414

Morpholine, 2-((1h-inden-4(or 7)-yloxy)methyl)-4-isopropyl-

Structural Information

Molecular Formula

C₁₇H₂₃NO₂

SMILES

CC(C)N1CCOC(C1)COC2=CC=CC3=C2C=CC3

InChI

InChI=1S/C17H23NO2/c1-13(2)18-9-10-19-15(11-18)12-20-17-8-4-6-14-5-3-7-16(14)17/h3-4,6-8,13,15H,5,9-12H2,1-2H3

InChIKey

YFDFXQFRLVHLOA-UHFFFAOYSA-N

Compound name

2-(1H-inden-4-yloxymethyl)-4-propan-2-ylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 273.17288 Da
Monoisotopic Mass: 3.2
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]+	274.180156	165.7
[M+Na]+	296.162098	170.8
[M-H]-	272.165604	171.6
[M+NH4]+	291.206703	181.8
[M+K]+	312.136038	168.6
[M+H-H2O]+	256.170140	157.7
[M+HCOO]-	318.171081	182.5
[M+CH3COO]-	332.186731	199.3
[M+Na-2H]-	294.147546	167.4
[M]+	273.17233142	165.1
[M]-	273.17342858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe