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

literature stripe

Patent stripe

patents stripe