CID 12785626

Meso-alpha,beta-di(4-pyridyl) glycol

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1=CN=CC=C1[C@H]([C@H](C2=CC=NC=C2)O)O
InChI
InChI=1S/C12H12N2O2/c15-11(9-1-5-13-6-2-9)12(16)10-3-7-14-8-4-10/h1-8,11-12,15-16H/t11-,12+
InChIKey
DHKSJSQSVHHBPH-TXEJJXNPSA-N
Compound name
(1R,2S)-1,2-dipyridin-4-ylethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

216.08987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 147.0
[M+Na]+ 239.07909 152.9
[M-H]- 215.08259 148.1
[M+NH4]+ 234.12369 160.7
[M+K]+ 255.05303 149.4
[M+H-H2O]+ 199.08713 138.6
[M+HCOO]- 261.08807 164.8
[M+CH3COO]- 275.10372 182.1
[M+Na-2H]- 237.06454 153.1
[M]+ 216.08932 144.2
[M]- 216.09042 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