CID 4349265

179811-84-8

Structural Information

Molecular Formula

C₉H₁₁NO₄

SMILES

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

InChI

InChI=1S/C9H11NO4/c1-14-9(13)8(10)5-2-3-6(11)7(12)4-5/h2-4,8,11-12H,10H2,1H3

InChIKey

BLEDBBPEBDJXGP-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-(3,4-dihydroxyphenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 197.0688 Da
Monoisotopic Mass: -0.5
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]+	198.07608	141.1
[M+Na]+	220.05802	150.6
[M+NH4]+	215.10262	147.0
[M+K]+	236.03196	147.8
[M-H]-	196.06152	140.8
[M+Na-2H]-	218.04347	144.6
[M]+	197.06825	141.9
[M]-	197.06935	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe