CID 10125131

Ethyl 2-amino-2-(3-hydroxyphenyl)acetate

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

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

InChI

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

InChIKey

UROAXDAUPFMYOQ-UHFFFAOYSA-N

Compound name

ethyl 2-amino-2-(3-hydroxyphenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	196.09682	142.4
[M+Na]+	218.07876	148.8
[M-H]-	194.08226	144.4
[M+NH4]+	213.12336	160.6
[M+K]+	234.05270	147.3
[M+H-H2O]+	178.08680	136.4
[M+HCOO]-	240.08774	164.4
[M+CH3COO]-	254.10339	183.5
[M+Na-2H]-	216.06421	145.6
[M]+	195.08899	141.7
[M]-	195.09009	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe