CID 56773867

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

Structural Information

Molecular Formula
C9H10BrNO2
SMILES
CC1=NC(=C(C=C1C(=O)C)Br)OC
InChI
InChI=1S/C9H10BrNO2/c1-5-7(6(2)12)4-8(10)9(11-5)13-3/h4H,1-3H3
InChIKey
ISOWAXNWRAJQDT-UHFFFAOYSA-N
Compound name
1-(5-bromo-6-methoxy-2-methylpyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.98949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99677 140.5
[M+Na]+ 265.97871 153.6
[M-H]- 241.98221 146.2
[M+NH4]+ 261.02331 161.0
[M+K]+ 281.95265 143.4
[M+H-H2O]+ 225.98675 140.3
[M+HCOO]- 287.98769 160.9
[M+CH3COO]- 302.00334 191.4
[M+Na-2H]- 263.96416 146.7
[M]+ 242.98894 162.0
[M]- 242.99004 162.0
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.