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]+	196.096816	141.4
[M+Na]+	218.078758	148.0
[M-H]-	194.082264	143.8
[M+NH4]+	213.123363	159.9
[M+K]+	234.052698	146.3
[M+H-H2O]+	178.086800	135.2
[M+HCOO]-	240.087741	165.1
[M+CH3COO]-	254.103391	183.2
[M+Na-2H]-	216.064206	146.9
[M]+	195.08899142	142.3
[M]-	195.09008858	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe