CID 7063887

153437-52-6

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

C1COCCN1C2=CC(=C(C=C2)N)C(=O)O

InChI

InChI=1S/C11H14N2O3/c12-10-2-1-8(7-9(10)11(14)15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2,(H,14,15)

InChIKey

HFHMPAKMODSNJN-UHFFFAOYSA-N

Compound name

2-amino-5-morpholin-4-ylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 222.10045 Da
Monoisotopic Mass: 0.7
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]+	223.10773	149.3
[M+Na]+	245.08967	154.6
[M-H]-	221.09317	153.1
[M+NH4]+	240.13427	163.2
[M+K]+	261.06361	153.1
[M+H-H2O]+	205.09771	141.4
[M+HCOO]-	267.09865	166.8
[M+CH3COO]-	281.11430	187.2
[M+Na-2H]-	243.07512	153.0
[M]+	222.09990	144.4
[M]-	222.10100	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe