CID 45480413

1244949-22-1

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

13
References

173
Patents

227.98982 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe