CID 4410416

N-(2-bromo-4-methylphenyl)-2,2-dimethylpropanamide

Structural Information

Molecular Formula
C12H16BrNO
SMILES
CC1=CC(=C(C=C1)NC(=O)C(C)(C)C)Br
InChI
InChI=1S/C12H16BrNO/c1-8-5-6-10(9(13)7-8)14-11(15)12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKey
HBNZGZDYMNYJMC-UHFFFAOYSA-N
Compound name
N-(2-bromo-4-methylphenyl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.04153 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.048806 154.7
[M+Na]+ 292.030748 165.4
[M-H]- 268.034254 161.2
[M+NH4]+ 287.075353 175.1
[M+K]+ 308.004688 154.1
[M+H-H2O]+ 252.038790 154.5
[M+HCOO]- 314.039731 174.5
[M+CH3COO]- 328.055381 198.0
[M+Na-2H]- 290.016196 160.4
[M]+ 269.04098142 173.5
[M]- 269.04207858 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.