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

6
Patents

269.04153 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04881 152.0
[M+Na]+ 292.03075 154.4
[M+NH4]+ 287.07535 156.4
[M+K]+ 308.00469 154.5
[M-H]- 268.03425 152.9
[M+Na-2H]- 290.01620 154.7
[M]+ 269.04098 151.3
[M]- 269.04208 151.3
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