CID 465059

Benzyl pyrazine-2-carboxylate

Structural Information

Molecular Formula
C12H10N2O2
SMILES
C1=CC=C(C=C1)COC(=O)C2=NC=CN=C2
InChI
InChI=1S/C12H10N2O2/c15-12(11-8-13-6-7-14-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
JKPUKCNQAPZRSS-UHFFFAOYSA-N
Compound name
benzyl pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

33
Patents

214.07423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 145.5
[M+Na]+ 237.06345 152.9
[M-H]- 213.06695 149.2
[M+NH4]+ 232.10805 160.7
[M+K]+ 253.03739 150.0
[M+H-H2O]+ 197.07149 136.4
[M+HCOO]- 259.07243 167.5
[M+CH3COO]- 273.08808 184.8
[M+Na-2H]- 235.04890 153.6
[M]+ 214.07368 146.2
[M]- 214.07478 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.