CID 71300244

1-(5-iodo-6-methoxy-2-methylpyridin-3-yl)ethan-1-one

Structural Information

Molecular Formula
C9H10INO2
SMILES
CC1=NC(=C(C=C1C(=O)C)I)OC
InChI
InChI=1S/C9H10INO2/c1-5-7(6(2)12)4-8(10)9(11-5)13-3/h4H,1-3H3
InChIKey
KWJJIIBZJWPHGO-UHFFFAOYSA-N
Compound name
1-(5-iodo-6-methoxy-2-methylpyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.97562 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.98290 143.9
[M+Na]+ 313.96484 146.7
[M-H]- 289.96834 140.1
[M+NH4]+ 309.00944 158.3
[M+K]+ 329.93878 151.2
[M+H-H2O]+ 273.97288 134.3
[M+HCOO]- 335.97382 161.6
[M+CH3COO]- 349.98947 192.6
[M+Na-2H]- 311.95029 136.6
[M]+ 290.97507 144.5
[M]- 290.97617 144.5
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.