CID 28132

Ski 28467

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CN(C)CC(=O)C1=CC(=C(C=C1)O)O

InChI

InChI=1S/C10H13NO3/c1-11(2)6-10(14)7-3-4-8(12)9(13)5-7/h3-5,12-13H,6H2,1-2H3

InChIKey

HZOZZBGFSSJUPZ-UHFFFAOYSA-N

Compound name

1-(3,4-dihydroxyphenyl)-2-(dimethylamino)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 15
Patents: 195.08954 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]+	196.096816	141.0
[M+Na]+	218.078758	148.1
[M-H]-	194.082264	143.8
[M+NH4]+	213.123363	159.6
[M+K]+	234.052698	147.1
[M+H-H2O]+	178.086800	135.2
[M+HCOO]-	240.087741	163.6
[M+CH3COO]-	254.103391	186.0
[M+Na-2H]-	216.064206	144.6
[M]+	195.08899142	141.7
[M]-	195.09008858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe