CID 24798700

3-(1-carboxylatovinyloxy)anthranilate

Structural Information

Molecular Formula

C₁₀H₉NO₅

SMILES

C=C(C(=O)O)OC1=CC=CC(=C1N)C(=O)O

InChI

InChI=1S/C10H9NO5/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4H,1,11H2,(H,12,13)(H,14,15)

InChIKey

GGCPIKCAFSGNKM-UHFFFAOYSA-N

Compound name

2-amino-3-(1-carboxyethenoxy)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 223.04807 Da
Monoisotopic Mass: 1.5
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]+	224.055346	144.9
[M+Na]+	246.037288	151.7
[M-H]-	222.040794	145.8
[M+NH4]+	241.081893	160.9
[M+K]+	262.011228	150.0
[M+H-H2O]+	206.045330	139.0
[M+HCOO]-	268.046271	165.1
[M+CH3COO]-	282.061921	186.9
[M+Na-2H]-	244.022736	145.8
[M]+	223.04752142	143.6
[M]-	223.04861858	143.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.