CID 10654607

95837-10-8

Structural Information

Molecular Formula

C₇H₆N₂O₃

SMILES

C1COC2=C1N=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C7H6N2O3/c10-9(11)7-2-1-6-5(8-7)3-4-12-6/h1-2H,3-4H2

InChIKey

CPTDYXQLDXOWTB-UHFFFAOYSA-N

Compound name

5-nitro-2,3-dihydrofuro[3,2-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 166.03784 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]+	167.04512	128.4
[M+Na]+	189.02706	141.4
[M+NH4]+	184.07166	137.2
[M+K]+	205.00100	140.6
[M-H]-	165.03056	132.4
[M+Na-2H]-	187.01251	133.7
[M]+	166.03729	131.2
[M]-	166.03839	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe