CID 70645

Pyridine-2,6-diethanol

Structural Information

Molecular Formula
C9H13NO2
SMILES
C1=CC(=NC(=C1)CCO)CCO
InChI
InChI=1S/C9H13NO2/c11-6-4-8-2-1-3-9(10-8)5-7-12/h1-3,11-12H,4-7H2
InChIKey
VSZWBJJFJGROCO-UHFFFAOYSA-N
Compound name
2-[6-(2-hydroxyethyl)-2-pyridinyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

167.09464 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 135.7
[M+Na]+ 190.083858 143.1
[M-H]- 166.087364 135.2
[M+NH4]+ 185.128463 153.7
[M+K]+ 206.057798 140.3
[M+H-H2O]+ 150.091900 129.5
[M+HCOO]- 212.092841 156.4
[M+CH3COO]- 226.108491 173.8
[M+Na-2H]- 188.069306 142.2
[M]+ 167.09409142 135.6
[M]- 167.09518858 135.6
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