CID 4174537

90476-87-2

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃

SMILES

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

InChI

InChI=1S/C10H10ClNO3/c1-6(11)10(13)12-7-2-3-8-9(4-7)15-5-14-8/h2-4,6H,5H2,1H3,(H,12,13)

InChIKey

YTMODFCWNOUDOG-UHFFFAOYSA-N

Compound name

N-(1,3-benzodioxol-5-yl)-2-chloropropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 227.03493 Da
Monoisotopic Mass: 1.9
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	146.1
[M+Na]+	250.02415	157.5
[M+NH4]+	245.06875	154.4
[M+K]+	265.99809	154.5
[M-H]-	226.02765	150.2
[M+Na-2H]-	248.00960	149.7
[M]+	227.03438	149.0
[M]-	227.03548	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe