CID 139022532

2116483-38-4

Structural Information

Molecular Formula
C11H14BrNO
SMILES
CC(=O)C1=NC(=CC(=C1)C(C)(C)C)Br
InChI
InChI=1S/C11H14BrNO/c1-7(14)9-5-8(11(2,3)4)6-10(12)13-9/h5-6H,1-4H3
InChIKey
OOTOGFSIIZTTTR-UHFFFAOYSA-N
Compound name
1-(6-bromo-4-tert-butylpyridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

255.02588 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 148.5
[M+Na]+ 278.01510 160.6
[M-H]- 254.01860 154.0
[M+NH4]+ 273.05970 168.6
[M+K]+ 293.98904 149.8
[M+H-H2O]+ 238.02314 148.7
[M+HCOO]- 300.02408 166.7
[M+CH3COO]- 314.03973 193.7
[M+Na-2H]- 276.00055 154.9
[M]+ 255.02533 168.5
[M]- 255.02643 168.5
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