CID 84337

14301-36-1

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

COC1=C(C=C(C=C1)CCNC=O)OC

InChI

InChI=1S/C11H15NO3/c1-14-10-4-3-9(5-6-12-8-13)7-11(10)15-2/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)

InChIKey

WUZNVFUYFDVUIC-UHFFFAOYSA-N

Compound name

N-[2-(3,4-dimethoxyphenyl)ethyl]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 209.1052 Da
Monoisotopic Mass: 1.0
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]+	210.11248	145.5
[M+Na]+	232.09442	157.2
[M+NH4]+	227.13902	152.9
[M+K]+	248.06836	150.9
[M-H]-	208.09792	147.4
[M+Na-2H]-	230.07987	151.5
[M]+	209.10465	147.5
[M]-	209.10575	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe