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

19
Patents

227.98982 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.997096 138.5
[M+Na]+ 250.979038 149.7
[M-H]- 226.982544 145.1
[M+NH4]+ 246.023643 159.4
[M+K]+ 266.952978 140.2
[M+H-H2O]+ 210.987080 137.4
[M+HCOO]- 272.988021 160.5
[M+CH3COO]- 287.003671 191.6
[M+Na-2H]- 248.964486 146.1
[M]+ 227.98927142 158.0
[M]- 227.99036858 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