CID 12097753

Methyl 3,4-diamino-2-methoxybenzoate

Structural Information

Molecular Formula

C₉H₁₂N₂O₃

SMILES

COC1=C(C=CC(=C1N)N)C(=O)OC

InChI

InChI=1S/C9H12N2O3/c1-13-8-5(9(12)14-2)3-4-6(10)7(8)11/h3-4H,10-11H2,1-2H3

InChIKey

RWEQERJJDQFUDV-UHFFFAOYSA-N

Compound name

methyl 3,4-diamino-2-methoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 196.0848 Da
Monoisotopic Mass: 0.4
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]+	197.09208	141.2
[M+Na]+	219.07402	151.4
[M+NH4]+	214.11862	148.0
[M+K]+	235.04796	147.5
[M-H]-	195.07752	142.9
[M+Na-2H]-	217.05947	145.8
[M]+	196.08425	142.8
[M]-	196.08535	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe