CID 84665973

1-(4,6-dimethoxypyridin-2-yl)propan-2-one

Structural Information

Molecular Formula
C10H13NO3
SMILES
CC(=O)CC1=NC(=CC(=C1)OC)OC
InChI
InChI=1S/C10H13NO3/c1-7(12)4-8-5-9(13-2)6-10(11-8)14-3/h5-6H,4H2,1-3H3
InChIKey
KLANPYMBKWIRLY-UHFFFAOYSA-N
Compound name
1-(4,6-dimethoxypyridin-2-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08954 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 140.0
[M+Na]+ 218.07876 148.8
[M-H]- 194.08226 142.8
[M+NH4]+ 213.12336 158.5
[M+K]+ 234.05270 148.1
[M+H-H2O]+ 178.08680 133.4
[M+HCOO]- 240.08774 162.9
[M+CH3COO]- 254.10339 185.3
[M+Na-2H]- 216.06421 145.2
[M]+ 195.08899 144.6
[M]- 195.09009 144.6
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

No patent data available for this compound.