CID 201858

7029-80-3

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

C1COCCN1CC(CO)C2=CC=CC=C2

InChI

InChI=1S/C13H19NO2/c15-11-13(12-4-2-1-3-5-12)10-14-6-8-16-9-7-14/h1-5,13,15H,6-11H2

InChIKey

CGDXJOZGEGAUDL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 221.14159 Da
Monoisotopic Mass: 1.0
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]+	222.14887	151.7
[M+Na]+	244.13081	154.9
[M-H]-	220.13431	154.8
[M+NH4]+	239.17541	165.8
[M+K]+	260.10475	153.3
[M+H-H2O]+	204.13885	143.5
[M+HCOO]-	266.13979	167.7
[M+CH3COO]-	280.15544	185.0
[M+Na-2H]-	242.11626	156.4
[M]+	221.14104	147.5
[M]-	221.14214	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe