CID 122711

Allyl pyrazinoate

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

C=CCOC(=O)C1=NC=CN=C1

InChI

InChI=1S/C8H8N2O2/c1-2-5-12-8(11)7-6-9-3-4-10-7/h2-4,6H,1,5H2

InChIKey

PMUVYSFTPNYAAQ-UHFFFAOYSA-N

Compound name

prop-2-enyl pyrazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 164.05858 Da
Monoisotopic Mass: 0.5
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]+	165.06586	133.7
[M+Na]+	187.04780	146.2
[M+NH4]+	182.09240	140.6
[M+K]+	203.02174	140.5
[M-H]-	163.05130	133.6
[M+Na-2H]-	185.03325	140.3
[M]+	164.05803	135.2
[M]-	164.05913	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe