CID 101635

Alpha-propyldopacetamide

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

CCCC(C1=CC(=C(C=C1)O)O)C(=O)N

InChI

InChI=1S/C11H15NO3/c1-2-3-8(11(12)15)7-4-5-9(13)10(14)6-7/h4-6,8,13-14H,2-3H2,1H3,(H2,12,15)

InChIKey

GDXQWRJYXZXWMT-UHFFFAOYSA-N

Compound name

2-(3,4-dihydroxyphenyl)pentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 6
Patents: 209.1052 Da
Monoisotopic Mass: 1.5
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	147.0
[M+Na]+	232.09442	153.3
[M-H]-	208.09792	147.6
[M+NH4]+	227.13902	164.0
[M+K]+	248.06836	150.7
[M+H-H2O]+	192.10246	141.2
[M+HCOO]-	254.10340	167.1
[M+CH3COO]-	268.11905	186.0
[M+Na-2H]-	230.07987	148.3
[M]+	209.10465	145.1
[M]-	209.10575	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe