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: 6
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]+	212.091736	144.4
[M+Na]+	234.073678	151.4
[M-H]-	210.077184	146.6
[M+NH4]+	229.118283	162.0
[M+K]+	250.047618	150.6
[M+H-H2O]+	194.081720	138.3
[M+HCOO]-	256.082661	166.6
[M+CH3COO]-	270.098311	187.6
[M+Na-2H]-	232.059126	146.9
[M]+	211.08391142	145.6
[M]-	211.08500858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe