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 152.8
[M+Na]+ 292.03075 155.2
[M+NH4]+ 287.07535 157.1
[M+K]+ 308.00469 155.6
[M-H]- 268.03425 153.3
[M+Na-2H]- 290.01620 155.7
[M]+ 269.04098 152.1
[M]- 269.04208 152.1
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.