CID 611144

26759-46-6

Structural Information

Molecular Formula

C₁₀H₁₃NO₄

SMILES

COC1=C(C=C(C(=C1)C(=O)OC)N)OC

InChI

InChI=1S/C10H13NO4/c1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2/h4-5H,11H2,1-3H3

InChIKey

QQFHCCQSCQBKBG-UHFFFAOYSA-N

Compound name

methyl 2-amino-4,5-dimethoxybenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 504
Patents: 211.08446 Da
Monoisotopic Mass: 1.6
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]+	212.09174	143.2
[M+Na]+	234.07368	152.0
[M-H]-	210.07718	147.3
[M+NH4]+	229.11828	162.1
[M+K]+	250.04762	151.6
[M+H-H2O]+	194.08172	137.1
[M+HCOO]-	256.08266	168.0
[M+CH3COO]-	270.09831	189.7
[M+Na-2H]-	232.05913	146.9
[M]+	211.08391	147.3
[M]-	211.08501	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe