CID 4392336

2-bromo-n-(2-ethyl-6-methylphenyl)propanamide

Structural Information

Molecular Formula
C12H16BrNO
SMILES
CCC1=CC=CC(=C1NC(=O)C(C)Br)C
InChI
InChI=1S/C12H16BrNO/c1-4-10-7-5-6-8(2)11(10)14-12(15)9(3)13/h5-7,9H,4H2,1-3H3,(H,14,15)
InChIKey
SQBYZLSKEHLGCY-UHFFFAOYSA-N
Compound name
2-bromo-N-(2-ethyl-6-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

269.04153 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.048806 154.7
[M+Na]+ 292.030748 164.6
[M-H]- 268.034254 160.9
[M+NH4]+ 287.075353 174.8
[M+K]+ 308.004688 153.4
[M+H-H2O]+ 252.038790 153.9
[M+HCOO]- 314.039731 175.0
[M+CH3COO]- 328.055381 199.1
[M+Na-2H]- 290.016196 158.6
[M]+ 269.04098142 173.4
[M]- 269.04207858 173.4
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

patents stripe