CID 3033178

Cinnamamide, n-allyl-4-bromo-alpha,beta-dimethyl-, (e)-

Structural Information

Molecular Formula
C14H16BrNO
SMILES
C/C(=C(/C)\C(=O)NCC=C)/C1=CC=C(C=C1)Br
InChI
InChI=1S/C14H16BrNO/c1-4-9-16-14(17)11(3)10(2)12-5-7-13(15)8-6-12/h4-8H,1,9H2,2-3H3,(H,16,17)/b11-10+
InChIKey
BYGZBJDMQOOULC-ZHACJKMWSA-N
Compound name
(E)-3-(4-bromophenyl)-2-methyl-N-prop-2-enylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.04153 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.04881 161.9
[M+Na]+ 316.03075 170.5
[M-H]- 292.03425 167.5
[M+NH4]+ 311.07535 180.6
[M+K]+ 332.00469 158.1
[M+H-H2O]+ 276.03879 160.8
[M+HCOO]- 338.03973 181.1
[M+CH3COO]- 352.05538 202.2
[M+Na-2H]- 314.01620 164.3
[M]+ 293.04098 179.0
[M]- 293.04208 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.