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

44
Patents

244.12119 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.128466 157.2
[M+Na]+ 267.110408 163.7
[M-H]- 243.113914 158.5
[M+NH4]+ 262.155013 170.1
[M+K]+ 283.084348 159.6
[M+H-H2O]+ 227.118450 149.5
[M+HCOO]- 289.119391 173.0
[M+CH3COO]- 303.135041 187.3
[M+Na-2H]- 265.095856 166.1
[M]+ 244.12064142 155.3
[M]- 244.12173858 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