CID 57278590

Schembl24540

Structural Information

Molecular Formula

C₁₁H₁₃NO₄

SMILES

C1COCCN1OC(=O)C2=CC=CC=C2O

InChI

InChI=1S/C11H13NO4/c13-10-4-2-1-3-9(10)11(14)16-12-5-7-15-8-6-12/h1-4,13H,5-8H2

InChIKey

BMOINOKSLLYQQE-UHFFFAOYSA-N

Compound name

morpholin-4-yl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1861
Patents: 223.08446 Da
Monoisotopic Mass: 2.2
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]+	224.09174	147.2
[M+Na]+	246.07368	152.4
[M-H]-	222.07718	151.3
[M+NH4]+	241.11828	161.5
[M+K]+	262.04762	152.0
[M+H-H2O]+	206.08172	139.4
[M+HCOO]-	268.08266	164.6
[M+CH3COO]-	282.09831	183.0
[M+Na-2H]-	244.05913	152.4
[M]+	223.08391	145.0
[M]-	223.08501	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe