CID 12097746

538372-32-6

Structural Information

Molecular Formula

C₇H₇N₃O₄

SMILES

COC(=O)C1=NC(=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C7H7N3O4/c1-14-7(11)4-2-3-5(10(12)13)6(8)9-4/h2-3H,1H3,(H2,8,9)

InChIKey

KHLJLFCKRIFGCE-UHFFFAOYSA-N

Compound name

methyl 6-amino-5-nitropyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 197.04366 Da
Monoisotopic Mass: 1.1
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]+	198.05094	136.6
[M+Na]+	220.03288	148.2
[M+NH4]+	215.07748	142.8
[M+K]+	236.00682	147.2
[M-H]-	196.03638	138.3
[M+Na-2H]-	218.01833	141.6
[M]+	197.04311	138.2
[M]-	197.04421	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe