CID 2772350

2137451-44-4

Structural Information

Molecular Formula

C₁₀H₁₃NO₄

SMILES

COC1=CC(=C(C=C1)C(C(=O)O)N)OC

InChI

InChI=1S/C10H13NO4/c1-14-6-3-4-7(8(5-6)15-2)9(11)10(12)13/h3-5,9H,11H2,1-2H3,(H,12,13)

InChIKey

FILCLWAUZHLXFI-UHFFFAOYSA-N

Compound name

2-amino-2-(2,4-dimethoxyphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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	144.9
[M+Na]+	234.07368	154.7
[M+NH4]+	229.11828	151.0
[M+K]+	250.04762	151.4
[M-H]-	210.07718	145.1
[M+Na-2H]-	232.05913	148.8
[M]+	211.08391	146.0
[M]-	211.08501	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe