CID 96212

Einecs 229-621-7

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC1=NC(=CC=C1)C(C(C2=CC=CC(=N2)C)O)O
InChI
InChI=1S/C14H16N2O2/c1-9-5-3-7-11(15-9)13(17)14(18)12-8-4-6-10(2)16-12/h3-8,13-14,17-18H,1-2H3
InChIKey
BQACYHPDFUQUCV-UHFFFAOYSA-N
Compound name
1,2-bis(6-methylpyridin-2-yl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

244.12119 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 156.2
[M+Na]+ 267.11041 163.1
[M-H]- 243.11391 157.8
[M+NH4]+ 262.15501 169.4
[M+K]+ 283.08435 159.2
[M+H-H2O]+ 227.11845 147.9
[M+HCOO]- 289.11939 173.3
[M+CH3COO]- 303.13504 190.5
[M+Na-2H]- 265.09586 159.7
[M]+ 244.12064 155.0
[M]- 244.12174 155.0
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