CID 3516698

Methyl 2-amino-4,5-diethoxybenzoate

Structural Information

Molecular Formula

C₁₂H₁₇NO₄

SMILES

CCOC1=C(C=C(C(=C1)C(=O)OC)N)OCC

InChI

InChI=1S/C12H17NO4/c1-4-16-10-6-8(12(14)15-3)9(13)7-11(10)17-5-2/h6-7H,4-5,13H2,1-3H3

InChIKey

WYHBJUPMCJWBDD-UHFFFAOYSA-N

Compound name

methyl 2-amino-4,5-diethoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 239.11575 Da
Monoisotopic Mass: 2.3
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]+	240.12303	153.2
[M+Na]+	262.10497	163.9
[M+NH4]+	257.14957	159.5
[M+K]+	278.07891	159.2
[M-H]-	238.10847	154.2
[M+Na-2H]-	260.09042	157.4
[M]+	239.11520	154.7
[M]-	239.11630	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe