CID 3367359

327051-33-2

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

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

InChI

InChI=1S/C10H13NO3/c1-13-8-5-3-4-7(6-8)9(11)10(12)14-2/h3-6,9H,11H2,1-2H3

InChIKey

KCVSBDOYFPXLAI-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-(3-methoxyphenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 32
Patents: 195.08954 Da
Monoisotopic Mass: 0.9
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	141.9
[M+Na]+	218.078758	148.6
[M-H]-	194.082264	145.2
[M+NH4]+	213.123363	160.7
[M+K]+	234.052698	148.1
[M+H-H2O]+	178.086800	135.6
[M+HCOO]-	240.087741	165.4
[M+CH3COO]-	254.103391	186.0
[M+Na-2H]-	216.064206	145.5
[M]+	195.08899142	143.0
[M]-	195.09008858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe