CID 53424747

5175-26-8

Structural Information

Molecular Formula

C₆H₄N₂O₃

SMILES

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

InChI

InChI=1S/C6H4N2O3/c9-4-5-2-1-3-7-6(5)8(10)11/h1-4H

InChIKey

XOVNMCWPVHPBED-UHFFFAOYSA-N

Compound name

2-nitropyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 152.02219 Da
Monoisotopic Mass: 0.5
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]+	153.02947	125.2
[M+Na]+	175.01141	133.9
[M-H]-	151.01491	128.2
[M+NH4]+	170.05601	144.2
[M+K]+	190.98535	128.8
[M+H-H2O]+	135.01945	123.6
[M+HCOO]-	197.02039	151.1
[M+CH3COO]-	211.03604	168.3
[M+Na-2H]-	172.99686	135.4
[M]+	152.02164	124.5
[M]-	152.02274	124.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe