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: 6
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]+	179.056346	132.6
[M+Na]+	201.038288	140.4
[M-H]-	177.041794	138.1
[M+NH4]+	196.082893	151.4
[M+K]+	217.012228	135.5
[M+H-H2O]+	161.046330	129.6
[M+HCOO]-	223.047271	163.1
[M+CH3COO]-	237.062921	182.1
[M+Na-2H]-	199.023736	143.9
[M]+	178.04852142	132.0
[M]-	178.04961858	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe