CID 130115205

N-(6-bromo-5-cyanopyridin-2-yl)-2,2-dimethylpropanamide

Structural Information

Molecular Formula
C11H12BrN3O
SMILES
CC(C)(C)C(=O)NC1=NC(=C(C=C1)C#N)Br
InChI
InChI=1S/C11H12BrN3O/c1-11(2,3)10(16)15-8-5-4-7(6-13)9(12)14-8/h4-5H,1-3H3,(H,14,15,16)
InChIKey
WMBUKEPXDBKMHI-UHFFFAOYSA-N
Compound name
N-(6-bromo-5-cyanopyridin-2-yl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.01636 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.02364 154.7
[M+Na]+ 304.00558 167.0
[M-H]- 280.00908 157.9
[M+NH4]+ 299.05018 171.0
[M+K]+ 319.97952 155.9
[M+H-H2O]+ 264.01362 146.6
[M+HCOO]- 326.01456 172.4
[M+CH3COO]- 340.03021 208.9
[M+Na-2H]- 301.99103 160.3
[M]+ 281.01581 166.6
[M]- 281.01691 166.6
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.