CID 3056269

73664-30-9

Structural Information

Molecular Formula

C₁₃H₁₇NO₃

SMILES

COC1=C(C=C(C=C1)CC(=O)NCC=C)OC

InChI

InChI=1S/C13H17NO3/c1-4-7-14-13(15)9-10-5-6-11(16-2)12(8-10)17-3/h4-6,8H,1,7,9H2,2-3H3,(H,14,15)

InChIKey

KTTPTZYEJHTOBO-UHFFFAOYSA-N

Compound name

2-(3,4-dimethoxyphenyl)-N-prop-2-enylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 235.12085 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]+	236.12813	152.9
[M+Na]+	258.11007	159.9
[M-H]-	234.11357	156.6
[M+NH4]+	253.15467	170.7
[M+K]+	274.08401	157.8
[M+H-H2O]+	218.11811	146.3
[M+HCOO]-	280.11905	177.3
[M+CH3COO]-	294.13470	195.1
[M+Na-2H]-	256.09552	156.7
[M]+	235.12030	156.5
[M]-	235.12140	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe