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

10
Patents

164.05858 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 132.4
[M+Na]+ 187.04780 140.7
[M-H]- 163.05130 133.3
[M+NH4]+ 182.09240 150.2
[M+K]+ 203.02174 139.0
[M+H-H2O]+ 147.05584 125.0
[M+HCOO]- 209.05678 154.6
[M+CH3COO]- 223.07243 176.1
[M+Na-2H]- 185.03325 140.1
[M]+ 164.05803 133.8
[M]- 164.05913 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe