CID 67151326

N-(5-bromo-2-methylpyridin-3-yl)acetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

227.98982 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99710 138.6
[M+Na]+ 250.97904 150.4
[M-H]- 226.98254 144.1
[M+NH4]+ 246.02364 159.1
[M+K]+ 266.95298 139.6
[M+H-H2O]+ 210.98708 137.8
[M+HCOO]- 272.98802 160.1
[M+CH3COO]- 287.00367 189.4
[M+Na-2H]- 248.96449 146.1
[M]+ 227.98927 157.2
[M]- 227.99037 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