CID 15055537

77495-40-0

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₄

SMILES

CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)N

InChI

InChI=1S/C11H14N2O4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,12H2,1-3H3,(H,13,14)

InChIKey

ZQDVARMAKLYZTA-UHFFFAOYSA-N

Compound name

methyl 4-acetamido-5-amino-2-methoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 238.09535 Da
Monoisotopic Mass: 0.2
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]+	239.102626	151.4
[M+Na]+	261.084568	158.9
[M-H]-	237.088074	155.3
[M+NH4]+	256.129173	168.6
[M+K]+	277.058508	158.2
[M+H-H2O]+	221.092610	144.7
[M+HCOO]-	283.093551	175.9
[M+CH3COO]-	297.109201	197.4
[M+Na-2H]-	259.070016	153.5
[M]+	238.09480142	153.5
[M]-	238.09589858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe