CID 2817987

95639-18-2

Structural Information

Molecular Formula

C₁₄H₂₁NO₃

SMILES

C1COCCN1CC(COCC2=CC=CC=C2)O

InChI

InChI=1S/C14H21NO3/c16-14(10-15-6-8-17-9-7-15)12-18-11-13-4-2-1-3-5-13/h1-5,14,16H,6-12H2

InChIKey

AFOBAUYOOAMFMF-UHFFFAOYSA-N

Compound name

1-morpholin-4-yl-3-phenylmethoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 251.15215 Da
Monoisotopic Mass: 0.6
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]+	252.159426	159.1
[M+Na]+	274.141368	161.7
[M-H]-	250.144874	162.0
[M+NH4]+	269.185973	171.8
[M+K]+	290.115308	160.5
[M+H-H2O]+	234.149410	150.4
[M+HCOO]-	296.150351	175.0
[M+CH3COO]-	310.166001	190.1
[M+Na-2H]-	272.126816	163.2
[M]+	251.15160142	156.7
[M]-	251.15269858	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe