CID 10352630

98300-41-5

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CC(=O)C1=C(C=CC(=C1OC)OC)N

InChI

InChI=1S/C10H13NO3/c1-6(12)9-7(11)4-5-8(13-2)10(9)14-3/h4-5H,11H2,1-3H3

InChIKey

BIUDWGOLBFUSCK-UHFFFAOYSA-N

Compound name

1-(6-amino-2,3-dimethoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 195.08954 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]+	196.096816	140.2
[M+Na]+	218.078758	149.0
[M-H]-	194.082264	144.2
[M+NH4]+	213.123363	159.7
[M+K]+	234.052698	148.0
[M+H-H2O]+	178.086800	134.4
[M+HCOO]-	240.087741	164.7
[M+CH3COO]-	254.103391	188.2
[M+Na-2H]-	216.064206	143.8
[M]+	195.08899142	142.9
[M]-	195.09008858	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe