CID 3047894

Gallic acid morpholide

Structural Information

Molecular Formula

C₁₁H₁₃NO₅

SMILES

C1COCCN1C(=O)C2=CC(=C(C(=C2)O)O)O

InChI

InChI=1S/C11H13NO5/c13-8-5-7(6-9(14)10(8)15)11(16)12-1-3-17-4-2-12/h5-6,13-15H,1-4H2

InChIKey

WYRHCBQBVYYPQX-UHFFFAOYSA-N

Compound name

morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 239.07938 Da
Monoisotopic Mass: -0.1
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]+	240.086656	151.2
[M+Na]+	262.068598	157.3
[M-H]-	238.072104	153.3
[M+NH4]+	257.113203	163.9
[M+K]+	278.042538	155.8
[M+H-H2O]+	222.076640	144.1
[M+HCOO]-	284.077581	165.7
[M+CH3COO]-	298.093231	183.1
[M+Na-2H]-	260.054046	154.1
[M]+	239.07883142	147.6
[M]-	239.07992858	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe