CID 2754750

4-hydroxymethyl-4'-methyl-2,2'-bipyridyl

Structural Information

Molecular Formula
C12H12N2O
SMILES
CC1=CC(=NC=C1)C2=NC=CC(=C2)CO
InChI
InChI=1S/C12H12N2O/c1-9-2-4-13-11(6-9)12-7-10(8-15)3-5-14-12/h2-7,15H,8H2,1H3
InChIKey
GJCOKGHYIMLMPB-UHFFFAOYSA-N
Compound name
[2-(4-methylpyridin-2-yl)pyridin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

200.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 143.6
[M+Na]+ 223.08418 152.6
[M-H]- 199.08768 146.6
[M+NH4]+ 218.12878 159.5
[M+K]+ 239.05812 148.3
[M+H-H2O]+ 183.09222 135.3
[M+HCOO]- 245.09316 164.7
[M+CH3COO]- 259.10881 183.1
[M+Na-2H]- 221.06963 151.0
[M]+ 200.09441 143.3
[M]- 200.09551 143.3
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