CID 38712

Brn 2106922

Structural Information

Molecular Formula
C11H12BrNO2
SMILES
CC1=CC(=CC(=C1OCC=C)C(=O)N)Br
InChI
InChI=1S/C11H12BrNO2/c1-3-4-15-10-7(2)5-8(12)6-9(10)11(13)14/h3,5-6H,1,4H2,2H3,(H2,13,14)
InChIKey
MPOKSWUQKCQSMM-UHFFFAOYSA-N
Compound name
5-bromo-3-methyl-2-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.00513 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.012406 150.7
[M+Na]+ 291.994348 162.1
[M-H]- 267.997854 156.7
[M+NH4]+ 287.038953 170.6
[M+K]+ 307.968288 150.3
[M+H-H2O]+ 252.002390 149.8
[M+HCOO]- 314.003331 172.0
[M+CH3COO]- 328.018981 197.7
[M+Na-2H]- 289.979796 154.6
[M]+ 269.00458142 169.8
[M]- 269.00567858 169.8
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.