CID 846743

N,n-dimethyl-3,4-methylenedioxycinnamamide

Structural Information

Molecular Formula
C12H13NO3
SMILES
CN(C)C(=O)/C=C/C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C12H13NO3/c1-13(2)12(14)6-4-9-3-5-10-11(7-9)16-8-15-10/h3-7H,8H2,1-2H3/b6-4+
InChIKey
CEUCWGNOCLVFRN-GQCTYLIASA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-N,N-dimethylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

219.08954 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.096816 148.9
[M+Na]+ 242.078758 156.1
[M-H]- 218.082264 156.0
[M+NH4]+ 237.123363 167.9
[M+K]+ 258.052698 156.9
[M+H-H2O]+ 202.086800 143.1
[M+HCOO]- 264.087741 171.3
[M+CH3COO]- 278.103391 191.7
[M+Na-2H]- 240.064206 154.6
[M]+ 219.08899142 152.2
[M]- 219.09008858 152.2
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.