CID 95513

1,2-dipyridin-2-ylethane-1,2-diol

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1=CC=NC(=C1)C(C(C2=CC=CC=N2)O)O
InChI
InChI=1S/C12H12N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8,11-12,15-16H
InChIKey
HVIBJFDEUPZPPC-UHFFFAOYSA-N
Compound name
1,2-dipyridin-2-ylethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

11
Patents

216.08987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 147.0
[M+Na]+ 239.079088 152.9
[M-H]- 215.082594 148.1
[M+NH4]+ 234.123693 160.7
[M+K]+ 255.053028 149.4
[M+H-H2O]+ 199.087130 138.6
[M+HCOO]- 261.088071 164.8
[M+CH3COO]- 275.103721 182.1
[M+Na-2H]- 237.064536 153.1
[M]+ 216.08932142 144.2
[M]- 216.09041858 144.2
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.