CID 63968586

Methyl 2-(pyrazin-2-yl)propanoate

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CC(C1=NC=CN=C1)C(=O)OC

InChI

InChI=1S/C8H10N2O2/c1-6(8(11)12-2)7-5-9-3-4-10-7/h3-6H,1-2H3

InChIKey

CDDUYOBBAAAKMU-UHFFFAOYSA-N

Compound name

methyl 2-pyrazin-2-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 166.07423 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]+	167.08151	133.7
[M+Na]+	189.06345	141.4
[M-H]-	165.06695	134.7
[M+NH4]+	184.10805	151.5
[M+K]+	205.03739	140.9
[M+H-H2O]+	149.07149	126.4
[M+HCOO]-	211.07243	154.7
[M+CH3COO]-	225.08808	177.9
[M+Na-2H]-	187.04890	140.2
[M]+	166.07368	135.2
[M]-	166.07478	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe