CID 54594331

1-(4-benzylmorpholin-2-yl)ethan-1-one

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

CC(=O)C1CN(CCO1)CC2=CC=CC=C2

InChI

InChI=1S/C13H17NO2/c1-11(15)13-10-14(7-8-16-13)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3

InChIKey

HYFNBIVNYJGFJD-UHFFFAOYSA-N

Compound name

1-(4-benzylmorpholin-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 219.12593 Da
Monoisotopic Mass: 1.2
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]+	220.13321	150.4
[M+Na]+	242.11515	163.1
[M+NH4]+	237.15975	158.6
[M+K]+	258.08909	156.7
[M-H]-	218.11865	155.1
[M+Na-2H]-	240.10060	157.2
[M]+	219.12538	153.5
[M]-	219.12648	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe