CID 2757370

Carbonic acid di-2-pyridyl ester

Structural Information

Molecular Formula
C11H8N2O3
SMILES
C1=CC=NC(=C1)OC(=O)OC2=CC=CC=N2
InChI
InChI=1S/C11H8N2O3/c14-11(15-9-5-1-3-7-12-9)16-10-6-2-4-8-13-10/h1-8H
InChIKey
GCSAXWHQFYOIFE-UHFFFAOYSA-N
Compound name
dipyridin-2-yl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1850
Patents

216.0535 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06078 144.1
[M+Na]+ 239.04272 151.9
[M-H]- 215.04622 148.1
[M+NH4]+ 234.08732 159.2
[M+K]+ 255.01666 149.9
[M+H-H2O]+ 199.05076 135.0
[M+HCOO]- 261.05170 166.6
[M+CH3COO]- 275.06735 183.3
[M+Na-2H]- 237.02817 152.8
[M]+ 216.05295 145.8
[M]- 216.05405 145.8
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