CID 579625

2,3-di(2-pyridyl)-2,3-butanediol

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC(C1=CC=CC=N1)(C(C)(C2=CC=CC=N2)O)O
InChI
InChI=1S/C14H16N2O2/c1-13(17,11-7-3-5-9-15-11)14(2,18)12-8-4-6-10-16-12/h3-10,17-18H,1-2H3
InChIKey
RUJGNUFYBYBFFP-UHFFFAOYSA-N
Compound name
2,3-dipyridin-2-ylbutane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

244.12119 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 157.2
[M+Na]+ 267.11041 163.7
[M-H]- 243.11391 158.5
[M+NH4]+ 262.15501 170.1
[M+K]+ 283.08435 159.6
[M+H-H2O]+ 227.11845 149.5
[M+HCOO]- 289.11939 173.0
[M+CH3COO]- 303.13504 187.3
[M+Na-2H]- 265.09586 166.1
[M]+ 244.12064 155.3
[M]- 244.12174 155.3
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

patents stripe