CID 60631613

N-methyl-6-nitropyridin-3-amine

Structural Information

Molecular Formula

C₆H₇N₃O₂

SMILES

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

InChI

InChI=1S/C6H7N3O2/c1-7-5-2-3-6(8-4-5)9(10)11/h2-4,7H,1H3

InChIKey

NAXPEXYGRNHRSQ-UHFFFAOYSA-N

Compound name

N-methyl-6-nitropyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 153.05383 Da
Monoisotopic Mass: 1.0
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]+	154.06111	126.6
[M+Na]+	176.04305	139.7
[M+NH4]+	171.08765	134.8
[M+K]+	192.01699	136.7
[M-H]-	152.04655	130.0
[M+Na-2H]-	174.02850	134.0
[M]+	153.05328	129.2
[M]-	153.05438	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe