CID 90449362

2-bromo-n,n-dimethylpyridine-3-carboxamide

Structural Information

Molecular Formula
C8H9BrN2O
SMILES
CN(C)C(=O)C1=C(N=CC=C1)Br
InChI
InChI=1S/C8H9BrN2O/c1-11(2)8(12)6-4-3-5-10-7(6)9/h3-5H,1-2H3
InChIKey
XLLFOYLOXZNGKU-UHFFFAOYSA-N
Compound name
2-bromo-N,N-dimethylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

227.98982 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99710 138.5
[M+Na]+ 250.97904 149.7
[M-H]- 226.98254 145.1
[M+NH4]+ 246.02364 159.4
[M+K]+ 266.95298 140.2
[M+H-H2O]+ 210.98708 137.4
[M+HCOO]- 272.98802 160.5
[M+CH3COO]- 287.00367 191.6
[M+Na-2H]- 248.96449 146.1
[M]+ 227.98927 158.0
[M]- 227.99037 158.0
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

patents stripe