CID 53425786

3-methoxy-5-nitropyridin-2-amine

Structural Information

Molecular Formula

C₆H₇N₃O₃

SMILES

COC1=C(N=CC(=C1)[N+](=O)[O-])N

InChI

InChI=1S/C6H7N3O3/c1-12-5-2-4(9(10)11)3-8-6(5)7/h2-3H,1H3,(H2,7,8)

InChIKey

MUEPJELQLAYHSH-UHFFFAOYSA-N

Compound name

3-methoxy-5-nitropyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 169.04874 Da
Monoisotopic Mass: 0.3
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]+	170.05602	129.7
[M+Na]+	192.03796	142.3
[M+NH4]+	187.08256	137.1
[M+K]+	208.01190	140.3
[M-H]-	168.04146	132.5
[M+Na-2H]-	190.02341	135.9
[M]+	169.04819	132.0
[M]-	169.04929	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe