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: 17
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	141.4
[M+Na]+	218.07876	148.0
[M-H]-	194.08226	143.8
[M+NH4]+	213.12336	159.9
[M+K]+	234.05270	146.3
[M+H-H2O]+	178.08680	135.2
[M+HCOO]-	240.08774	165.1
[M+CH3COO]-	254.10339	183.2
[M+Na-2H]-	216.06421	146.9
[M]+	195.08899	142.3
[M]-	195.09009	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe