CID 59766631

Methyl 5-azidopyridine-3-carboxylate

Structural Information

Molecular Formula

C₇H₆N₄O₂

SMILES

COC(=O)C1=CC(=CN=C1)N=[N+]=[N-]

InChI

InChI=1S/C7H6N4O2/c1-13-7(12)5-2-6(10-11-8)4-9-3-5/h2-4H,1H3

InChIKey

DFEBBNZLKKSJGR-UHFFFAOYSA-N

Compound name

methyl 5-azidopyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 178.04907 Da
Monoisotopic Mass: 1.6
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]+	179.05635	133.3
[M+Na]+	201.03829	146.1
[M+NH4]+	196.08289	141.0
[M+K]+	217.01223	142.3
[M-H]-	177.04179	137.5
[M+Na-2H]-	199.02374	141.1
[M]+	178.04852	136.0
[M]-	178.04962	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe