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]+ 256.033156 150.1
[M+Na]+ 278.015098 160.4
[M-H]- 254.018604 156.4
[M+NH4]+ 273.059703 170.6
[M+K]+ 293.989038 149.4
[M+H-H2O]+ 238.023140 149.4
[M+HCOO]- 300.024081 170.7
[M+CH3COO]- 314.039731 196.3
[M+Na-2H]- 276.000546 154.4
[M]+ 255.02533142 168.4
[M]- 255.02642858 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.