CID 4123749

N-(2h-1,3-benzodioxol-5-yl)prop-2-enamide

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

C=CC(=O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C10H9NO3/c1-2-10(12)11-7-3-4-8-9(5-7)14-6-13-8/h2-5H,1,6H2,(H,11,12)

InChIKey

WYNHSJXWXQHJNZ-UHFFFAOYSA-N

Compound name

N-(1,3-benzodioxol-5-yl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 191.05824 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.06552	139.3
[M+Na]+	214.04746	150.3
[M+NH4]+	209.09206	147.2
[M+K]+	230.02140	147.4
[M-H]-	190.05096	143.4
[M+Na-2H]-	212.03291	143.0
[M]+	191.05769	141.8
[M]-	191.05879	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe