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]+ 270.04881 154.7
[M+Na]+ 292.03075 165.4
[M-H]- 268.03425 161.2
[M+NH4]+ 287.07535 175.1
[M+K]+ 308.00469 154.1
[M+H-H2O]+ 252.03879 154.5
[M+HCOO]- 314.03973 174.5
[M+CH3COO]- 328.05538 198.0
[M+Na-2H]- 290.01620 160.4
[M]+ 269.04098 173.5
[M]- 269.04208 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.