CID 20715090

1020635-54-4

Structural Information

Molecular Formula

C₇H₆N₂O₅

SMILES

COC1=C(C=C(C=N1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C7H6N2O5/c1-14-6-5(7(10)11)2-4(3-8-6)9(12)13/h2-3H,1H3,(H,10,11)

InChIKey

CKKHQPBRBNOKAQ-UHFFFAOYSA-N

Compound name

2-methoxy-5-nitropyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 198.02766 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]+	199.03494	136.0
[M+Na]+	221.01688	148.1
[M+NH4]+	216.06148	142.0
[M+K]+	236.99082	147.4
[M-H]-	197.02038	136.6
[M+Na-2H]-	219.00233	140.7
[M]+	198.02711	137.4
[M]-	198.02821	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe