CID 1581246

83449-17-6

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃

SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCCl

InChI

InChI=1S/C10H10ClNO3/c11-4-3-10(13)12-7-1-2-8-9(5-7)15-6-14-8/h1-2,5H,3-4,6H2,(H,12,13)

InChIKey

PMZCNFYSDCOWEK-UHFFFAOYSA-N

Compound name

N-(1,3-benzodioxol-5-yl)-3-chloropropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 227.03493 Da
Monoisotopic Mass: 1.3
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]+	228.04221	145.9
[M+Na]+	250.02415	157.7
[M+NH4]+	245.06875	154.3
[M+K]+	265.99809	153.9
[M-H]-	226.02765	150.2
[M+Na-2H]-	248.00960	149.8
[M]+	227.03438	149.0
[M]-	227.03548	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe