CID 80465

N-acetylhomoveratrylamine

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CC(=O)NCCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C12H17NO3/c1-9(14)13-7-6-10-4-5-11(15-2)12(8-10)16-3/h4-5,8H,6-7H2,1-3H3,(H,13,14)

InChIKey

WEQRLEDPPGQGOP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 59
Patents: 223.12085 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]+	224.12813	149.7
[M+Na]+	246.11007	156.8
[M-H]-	222.11357	153.5
[M+NH4]+	241.15467	168.1
[M+K]+	262.08401	155.7
[M+H-H2O]+	206.11811	143.2
[M+HCOO]-	268.11905	174.2
[M+CH3COO]-	282.13470	193.0
[M+Na-2H]-	244.09552	154.0
[M]+	223.12030	153.7
[M]-	223.12140	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe