CID 88488

20323-74-4

Structural Information

Molecular Formula

C₁₁H₁₅NO₄

SMILES

CCOC(=O)C1=CC(=C(C=C1N)OC)OC

InChI

InChI=1S/C11H15NO4/c1-4-16-11(13)7-5-9(14-2)10(15-3)6-8(7)12/h5-6H,4,12H2,1-3H3

InChIKey

SMICMEHDDWELMR-UHFFFAOYSA-N

Compound name

ethyl 2-amino-4,5-dimethoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 225.10011 Da
Monoisotopic Mass: 2.0
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]+	226.107386	147.9
[M+Na]+	248.089328	156.2
[M-H]-	224.092834	151.8
[M+NH4]+	243.133933	166.2
[M+K]+	264.063268	155.6
[M+H-H2O]+	208.097370	141.6
[M+HCOO]-	270.098311	172.3
[M+CH3COO]-	284.113961	192.7
[M+Na-2H]-	246.074776	151.0
[M]+	225.09956142	152.3
[M]-	225.10065858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe