CID 14097616

Methyl 4-(2-aminoethoxy)benzoate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

COC(=O)C1=CC=C(C=C1)OCCN

InChI

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

InChIKey

SMRYWTZXDXXQKC-UHFFFAOYSA-N

Compound name

methyl 4-(2-aminoethoxy)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 216
Patents: 195.08954 Da
Monoisotopic Mass: 1.3
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	141.5
[M+Na]+	218.07876	148.5
[M-H]-	194.08226	144.7
[M+NH4]+	213.12336	160.4
[M+K]+	234.05270	147.4
[M+H-H2O]+	178.08680	135.1
[M+HCOO]-	240.08774	166.0
[M+CH3COO]-	254.10339	185.1
[M+Na-2H]-	216.06421	146.4
[M]+	195.08899	143.3
[M]-	195.09009	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe