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

literature stripe

Patent stripe

patents stripe