CID 269008

Methyl 2-[(2-hydroxyethyl)amino]benzoate

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

COC(=O)C1=CC=CC=C1NCCO

InChI

InChI=1S/C10H13NO3/c1-14-10(13)8-4-2-3-5-9(8)11-6-7-12/h2-5,11-12H,6-7H2,1H3

InChIKey

AXFCSUUUBXBWSN-UHFFFAOYSA-N

Compound name

methyl 2-(2-hydroxyethylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 16
Patents: 195.08954 Da
Monoisotopic Mass: 1.7
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	142.2
[M+Na]+	218.07876	152.8
[M+NH4]+	213.12336	149.2
[M+K]+	234.05270	147.6
[M-H]-	194.08226	143.3
[M+Na-2H]-	216.06421	147.6
[M]+	195.08899	143.7
[M]-	195.09009	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe