CID 59635415

Methyl 2-(methylamino)-3-nitrobenzoate

Structural Information

Molecular Formula

C₉H₁₀N₂O₄

SMILES

CNC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C9H10N2O4/c1-10-8-6(9(12)15-2)4-3-5-7(8)11(13)14/h3-5,10H,1-2H3

InChIKey

PUJFWFKWWCVKMO-UHFFFAOYSA-N

Compound name

methyl 2-(methylamino)-3-nitrobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 210.06406 Da
Monoisotopic Mass: 2.2
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]+	211.07134	142.0
[M+Na]+	233.05328	153.8
[M+NH4]+	228.09788	148.9
[M+K]+	249.02722	151.8
[M-H]-	209.05678	144.7
[M+Na-2H]-	231.03873	147.4
[M]+	210.06351	144.1
[M]-	210.06461	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe