CID 165894533

Ethyl 3-(2-aminoethoxy)-2-methylbenzoate hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

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

InChI

InChI=1S/C12H17NO3/c1-3-15-12(14)10-5-4-6-11(9(10)2)16-8-7-13/h4-6H,3,7-8,13H2,1-2H3

InChIKey

IAFINJIXYQLWLD-UHFFFAOYSA-N

Compound name

ethyl 3-(2-aminoethoxy)-2-methylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.12085 Da
Monoisotopic Mass: 1.5
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]+	224.128126	150.4
[M+Na]+	246.110068	157.5
[M-H]-	222.113574	153.6
[M+NH4]+	241.154673	168.5
[M+K]+	262.084008	155.9
[M+H-H2O]+	206.118110	143.8
[M+HCOO]-	268.119051	174.2
[M+CH3COO]-	282.134701	192.3
[M+Na-2H]-	244.095516	153.5
[M]+	223.12030142	153.3
[M]-	223.12139858	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.