CID 129919834

1227048-87-4

Structural Information

Molecular Formula

C₈H₈N₂O₃

SMILES

COC(=O)C1=C(N=C(C=C1)C=O)N

InChI

InChI=1S/C8H8N2O3/c1-13-8(12)6-3-2-5(4-11)10-7(6)9/h2-4H,1H3,(H2,9,10)

InChIKey

XKSWIHWJPISUOH-UHFFFAOYSA-N

Compound name

methyl 2-amino-6-formylpyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 180.0535 Da
Monoisotopic Mass: 0.7
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]+	181.06078	134.9
[M+Na]+	203.04272	144.0
[M-H]-	179.04622	137.5
[M+NH4]+	198.08732	153.3
[M+K]+	219.01666	142.7
[M+H-H2O]+	163.05076	128.3
[M+HCOO]-	225.05170	159.0
[M+CH3COO]-	239.06735	182.0
[M+Na-2H]-	201.02817	140.4
[M]+	180.05295	136.2
[M]-	180.05405	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe