CID 83609

2,6-dimethyl-4-hydroxypyridine

Structural Information

Molecular Formula
C7H9NO
SMILES
CC1=CC(=O)C=C(N1)C
InChI
InChI=1S/C7H9NO/c1-5-3-7(9)4-6(2)8-5/h3-4H,1-2H3,(H,8,9)
InChIKey
PRAFLUMTYHBEHE-UHFFFAOYSA-N
Compound name
2,6-dimethyl-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

513
Patents

123.06841 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 122.3
[M+Na]+ 146.05763 136.3
[M+NH4]+ 141.10223 130.9
[M+K]+ 162.03157 130.0
[M-H]- 122.06113 123.8
[M+Na-2H]- 144.04308 129.6
[M]+ 123.06786 124.6
[M]- 123.06896 124.6
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