CID 579621

2,3-di-3-pyridylbutane-2,3-diol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
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

literature stripe

Patent stripe

patents stripe