CID 71464335

3-(3-oxomorpholino)benzoic acid

Structural Information

Molecular Formula

C₁₁H₁₁NO₄

SMILES

C1COCC(=O)N1C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C11H11NO4/c13-10-7-16-5-4-12(10)9-3-1-2-8(6-9)11(14)15/h1-3,6H,4-5,7H2,(H,14,15)

InChIKey

AYPABEQYFZUAMF-UHFFFAOYSA-N

Compound name

3-(3-oxomorpholin-4-yl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 221.0688 Da
Monoisotopic Mass: 0.5
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]+	222.07608	146.7
[M+Na]+	244.05802	158.7
[M+NH4]+	239.10262	153.4
[M+K]+	260.03196	154.3
[M-H]-	220.06152	149.7
[M+Na-2H]-	242.04347	152.2
[M]+	221.06825	149.0
[M]-	221.06935	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe