CID 13406765

2803855-99-2

Structural Information

Molecular Formula

C₁₀H₁₃NO₄

SMILES

COC1=CC=CC(=C1O)CC(C(=O)O)N

InChI

InChI=1S/C10H13NO4/c1-15-8-4-2-3-6(9(8)12)5-7(11)10(13)14/h2-4,7,12H,5,11H2,1H3,(H,13,14)

InChIKey

OUMMDXARLVWXRD-UHFFFAOYSA-N

Compound name

2-amino-3-(2-hydroxy-3-methoxyphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 211.08446 Da
Monoisotopic Mass: -1.8
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]+	212.09174	145.4
[M+Na]+	234.07368	154.6
[M+NH4]+	229.11828	151.1
[M+K]+	250.04762	151.6
[M-H]-	210.07718	145.1
[M+Na-2H]-	232.05913	148.7
[M]+	211.08391	146.1
[M]-	211.08501	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe