CID 692187

N-(2-bromo-4-methylphenyl)-2-methylpropanamide

Structural Information

Molecular Formula
C11H14BrNO
SMILES
CC1=CC(=C(C=C1)NC(=O)C(C)C)Br
InChI
InChI=1S/C11H14BrNO/c1-7(2)11(14)13-10-5-4-8(3)6-9(10)12/h4-7H,1-3H3,(H,13,14)
InChIKey
DSZAOXJAEXKABT-UHFFFAOYSA-N
Compound name
N-(2-bromo-4-methylphenyl)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02588 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 150.1
[M+Na]+ 278.01510 160.4
[M-H]- 254.01860 156.4
[M+NH4]+ 273.05970 170.6
[M+K]+ 293.98904 149.4
[M+H-H2O]+ 238.02314 149.4
[M+HCOO]- 300.02408 170.7
[M+CH3COO]- 314.03973 196.3
[M+Na-2H]- 276.00055 154.4
[M]+ 255.02533 168.4
[M]- 255.02643 168.4
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.