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]+ 220.09682 148.9
[M+Na]+ 242.07876 156.1
[M-H]- 218.08226 156.0
[M+NH4]+ 237.12336 167.9
[M+K]+ 258.05270 156.9
[M+H-H2O]+ 202.08680 143.1
[M+HCOO]- 264.08774 171.3
[M+CH3COO]- 278.10339 191.7
[M+Na-2H]- 240.06421 154.6
[M]+ 219.08899 152.2
[M]- 219.09009 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.