CID 18613866

Ethyl 4-(2-aminoacetyl)benzoate hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

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

InChI

InChI=1S/C11H13NO3/c1-2-15-11(14)9-5-3-8(4-6-9)10(13)7-12/h3-6H,2,7,12H2,1H3

InChIKey

TURVVGMEFVVOAF-UHFFFAOYSA-N

Compound name

ethyl 4-(2-aminoacetyl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 207.08954 Da
Monoisotopic Mass: 1.6
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]+	208.09682	145.2
[M+Na]+	230.07876	151.8
[M-H]-	206.08226	148.3
[M+NH4]+	225.12336	163.4
[M+K]+	246.05270	150.4
[M+H-H2O]+	190.08680	138.8
[M+HCOO]-	252.08774	168.6
[M+CH3COO]-	266.10339	188.1
[M+Na-2H]-	228.06421	148.3
[M]+	207.08899	146.0
[M]-	207.09009	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe