CID 3079161

124497-87-6

Structural Information

Molecular Formula

C₁₆H₂₅NO₂

SMILES

CCCCCOC1(CN(CCO1)C)C2=CC=CC=C2

InChI

InChI=1S/C16H25NO2/c1-3-4-8-12-18-16(14-17(2)11-13-19-16)15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3

InChIKey

OVINSBPGEBFJDF-UHFFFAOYSA-N

Compound name

4-methyl-2-pentoxy-2-phenylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 263.18854 Da
Monoisotopic Mass: 3.0
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]+	264.195816	164.2
[M+Na]+	286.177758	168.7
[M-H]-	262.181264	168.9
[M+NH4]+	281.222363	179.8
[M+K]+	302.151698	167.3
[M+H-H2O]+	246.185800	155.7
[M+HCOO]-	308.186741	181.8
[M+CH3COO]-	322.202391	196.3
[M+Na-2H]-	284.163206	169.3
[M]+	263.18799142	164.3
[M]-	263.18908858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe