CID 954589

2-acetamido-5-bromo-6-methylpyridine

Structural Information

Molecular Formula
C8H9BrN2O
SMILES
CC1=C(C=CC(=N1)NC(=O)C)Br
InChI
InChI=1S/C8H9BrN2O/c1-5-7(9)3-4-8(10-5)11-6(2)12/h3-4H,1-2H3,(H,10,11,12)
InChIKey
LDBWQGWJCPCZIN-UHFFFAOYSA-N
Compound name
N-(5-bromo-6-methyl-2-pyridinyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

227.98982 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.997096 138.6
[M+Na]+ 250.979038 150.4
[M-H]- 226.982544 144.1
[M+NH4]+ 246.023643 159.1
[M+K]+ 266.952978 139.6
[M+H-H2O]+ 210.987080 137.8
[M+HCOO]- 272.988021 160.1
[M+CH3COO]- 287.003671 189.4
[M+Na-2H]- 248.964486 146.1
[M]+ 227.98927142 157.2
[M]- 227.99036858 157.2
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

patents stripe