CID 10986645

160590-36-3

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

CC1=C(C(=NC=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C7H8N2O3/c1-5-3-4-8-7(12-2)6(5)9(10)11/h3-4H,1-2H3

InChIKey

BGHDKUHZYJCOQG-UHFFFAOYSA-N

Compound name

2-methoxy-4-methyl-3-nitropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 168.0535 Da
Monoisotopic Mass: 1.4
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]+	169.06078	130.6
[M+Na]+	191.04272	144.6
[M+NH4]+	186.08732	138.6
[M+K]+	207.01666	141.7
[M-H]-	167.04622	133.3
[M+Na-2H]-	189.02817	137.4
[M]+	168.05295	133.2
[M]-	168.05405	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe