CID 30258

Acetophenone, 2'-hydroxy-4'-(2-(morpholino)ethoxy)-, hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₉NO₄

SMILES

CC(=O)C1=C(C=C(C=C1)OCCN2CCOCC2)O

InChI

InChI=1S/C14H19NO4/c1-11(16)13-3-2-12(10-14(13)17)19-9-6-15-4-7-18-8-5-15/h2-3,10,17H,4-9H2,1H3

InChIKey

VKRLXEQXNWVQTR-UHFFFAOYSA-N

Compound name

1-[2-hydroxy-4-(2-morpholin-4-ylethoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 265.1314 Da
Monoisotopic Mass: 1.6
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]+	266.138676	160.8
[M+Na]+	288.120618	165.5
[M-H]-	264.124124	164.6
[M+NH4]+	283.165223	173.5
[M+K]+	304.094558	164.4
[M+H-H2O]+	248.128660	152.5
[M+HCOO]-	310.129601	177.1
[M+CH3COO]-	324.145251	193.9
[M+Na-2H]-	286.106066	163.7
[M]+	265.13085142	160.0
[M]-	265.13194858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe