CID 72662

Methyl pyrazine-2-carboxylate

Structural Information

Molecular Formula

C₆H₆N₂O₂

SMILES

COC(=O)C1=NC=CN=C1

InChI

InChI=1S/C6H6N2O2/c1-10-6(9)5-4-7-2-3-8-5/h2-4H,1H3

InChIKey

TWIIRMSFZNYMQE-UHFFFAOYSA-N

Compound name

methyl pyrazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 1279
Patents: 138.04292 Da
Monoisotopic Mass: -0.2
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]+	139.05020	125.5
[M+Na]+	161.03214	138.4
[M+NH4]+	156.07674	133.0
[M+K]+	177.00608	133.2
[M-H]-	137.03564	125.8
[M+Na-2H]-	159.01759	132.7
[M]+	138.04237	127.2
[M]-	138.04347	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe