CID 59408070

Benzyl 2-(2-aminoethoxy)acetate hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

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

InChI

InChI=1S/C11H15NO3/c12-6-7-14-9-11(13)15-8-10-4-2-1-3-5-10/h1-5H,6-9,12H2

InChIKey

HTJODGVBKFRBIC-UHFFFAOYSA-N

Compound name

benzyl 2-(2-aminoethoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 209.1052 Da
Monoisotopic Mass: 0.6
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]+	210.112476	146.4
[M+Na]+	232.094418	152.0
[M-H]-	208.097924	149.1
[M+NH4]+	227.139023	164.4
[M+K]+	248.068358	150.6
[M+H-H2O]+	192.102460	139.5
[M+HCOO]-	254.103401	170.6
[M+CH3COO]-	268.119051	186.9
[M+Na-2H]-	230.079866	151.5
[M]+	209.10465142	148.1
[M]-	209.10574858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe