CID 62954380

5-bromo-n-(oxan-4-yl)pyridine-2-carboxamide

Structural Information

Molecular Formula
C11H13BrN2O2
SMILES
C1COCCC1NC(=O)C2=NC=C(C=C2)Br
InChI
InChI=1S/C11H13BrN2O2/c12-8-1-2-10(13-7-8)11(15)14-9-3-5-16-6-4-9/h1-2,7,9H,3-6H2,(H,14,15)
InChIKey
YVJKTRVDXNMVHN-UHFFFAOYSA-N
Compound name
5-bromo-N-(oxan-4-yl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.01605 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.02333 155.9
[M+Na]+ 307.00527 163.6
[M-H]- 283.00877 163.3
[M+NH4]+ 302.04987 171.9
[M+K]+ 322.97921 154.0
[M+H-H2O]+ 267.01331 153.8
[M+HCOO]- 329.01425 173.0
[M+CH3COO]- 343.02990 195.7
[M+Na-2H]- 304.99072 162.5
[M]+ 284.01550 170.7
[M]- 284.01660 170.7
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

No patent data available for this compound.