CID 9837165

168705-70-2

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

CC(=O)N(C)CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C11H13NO3/c1-8(13)12(2)6-9-3-4-10-11(5-9)15-7-14-10/h3-5H,6-7H2,1-2H3

InChIKey

JIWDGIYBLGMPRV-UHFFFAOYSA-N

Compound name

N-(1,3-benzodioxol-5-ylmethyl)-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5
Patents: 207.08954 Da
Monoisotopic Mass: 1.2
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]+	208.09682	144.2
[M+Na]+	230.07876	155.1
[M+NH4]+	225.12336	152.4
[M+K]+	246.05270	152.5
[M-H]-	206.08226	148.8
[M+Na-2H]-	228.06421	148.0
[M]+	207.08899	146.9
[M]-	207.09009	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe