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]+ 270.01241 150.7
[M+Na]+ 291.99435 162.1
[M-H]- 267.99785 156.7
[M+NH4]+ 287.03895 170.6
[M+K]+ 307.96829 150.3
[M+H-H2O]+ 252.00239 149.8
[M+HCOO]- 314.00333 172.0
[M+CH3COO]- 328.01898 197.7
[M+Na-2H]- 289.97980 154.6
[M]+ 269.00458 169.8
[M]- 269.00568 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.