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 154.7
[M+Na]+ 292.03075 164.6
[M-H]- 268.03425 160.9
[M+NH4]+ 287.07535 174.8
[M+K]+ 308.00469 153.4
[M+H-H2O]+ 252.03879 153.9
[M+HCOO]- 314.03973 175.0
[M+CH3COO]- 328.05538 199.1
[M+Na-2H]- 290.01620 158.6
[M]+ 269.04098 173.4
[M]- 269.04208 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