CID 15047367

4,6-dimethyl-3-hydroxypyridine

Structural Information

Molecular Formula
C7H9NO
SMILES
CC1=CC(=NC=C1O)C
InChI
InChI=1S/C7H9NO/c1-5-3-6(2)8-4-7(5)9/h3-4,9H,1-2H3
InChIKey
OICQOTPIZHVKQL-UHFFFAOYSA-N
Compound name
4,6-dimethylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

67
Patents

123.06841 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 122.0
[M+Na]+ 146.057628 131.8
[M-H]- 122.061134 123.8
[M+NH4]+ 141.102233 143.0
[M+K]+ 162.031568 130.0
[M+H-H2O]+ 106.065670 116.6
[M+HCOO]- 168.066611 144.7
[M+CH3COO]- 182.082261 169.5
[M+Na-2H]- 144.043076 129.5
[M]+ 123.06786142 122.0
[M]- 123.06895858 122.0
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