CID 135741646

81998-07-4

Structural Information

Molecular Formula
C12H12N2O
SMILES
CC1=CC(=NC=C1)C2=NC=CC(=C2O)C
InChI
InChI=1S/C12H12N2O/c1-8-3-5-13-10(7-8)11-12(15)9(2)4-6-14-11/h3-7,15H,1-2H3
InChIKey
NXRMIHXTXPXGME-UHFFFAOYSA-N
Compound name
4-methyl-2-(4-methylpyridin-2-yl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

200.09496 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 143.6
[M+Na]+ 223.08418 153.6
[M-H]- 199.08768 147.1
[M+NH4]+ 218.12878 159.9
[M+K]+ 239.05812 149.3
[M+H-H2O]+ 183.09222 135.6
[M+HCOO]- 245.09316 164.7
[M+CH3COO]- 259.10881 184.2
[M+Na-2H]- 221.06963 150.2
[M]+ 200.09441 143.7
[M]- 200.09551 143.7
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