CID 44515461

Methyl 5-formylpyrazine-2-carboxylate

Structural Information

Molecular Formula

C₇H₆N₂O₃

SMILES

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

InChI

InChI=1S/C7H6N2O3/c1-12-7(11)6-3-8-5(4-10)2-9-6/h2-4H,1H3

InChIKey

KNAAFIKYVYERNG-UHFFFAOYSA-N

Compound name

methyl 5-formylpyrazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 166.03784 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]+	167.04512	132.0
[M+Na]+	189.02706	144.6
[M+NH4]+	184.07166	138.5
[M+K]+	205.00100	139.9
[M-H]-	165.03056	131.6
[M+Na-2H]-	187.01251	138.2
[M]+	166.03729	133.4
[M]-	166.03839	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe