CID 6107389

Brn 0021627

Structural Information

Molecular Formula
C14H17NO3
SMILES
CCN(CC)C(=O)/C=C/C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C14H17NO3/c1-3-15(4-2)14(16)8-6-11-5-7-12-13(9-11)18-10-17-12/h5-9H,3-4,10H2,1-2H3/b8-6+
InChIKey
DEQSVZNNNQWMJW-SOFGYWHQSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

247.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 158.7
[M+Na]+ 270.11007 164.9
[M-H]- 246.11357 165.3
[M+NH4]+ 265.15467 176.5
[M+K]+ 286.08401 165.3
[M+H-H2O]+ 230.11811 152.5
[M+HCOO]- 292.11905 180.4
[M+CH3COO]- 306.13470 197.7
[M+Na-2H]- 268.09552 163.2
[M]+ 247.12030 162.6
[M]- 247.12140 162.6
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

patents stripe