CID 32863

Aceverine hydrochloride

Structural Information

Molecular Formula

C₁₅H₂₃NO₂

SMILES

CCCCCCCOC(=O)C(C1=CC=CC=C1)N

InChI

InChI=1S/C15H23NO2/c1-2-3-4-5-9-12-18-15(17)14(16)13-10-7-6-8-11-13/h6-8,10-11,14H,2-5,9,12,16H2,1H3

InChIKey

XBOAIOYOYBSEOO-UHFFFAOYSA-N

Compound name

heptyl 2-amino-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 249.17288 Da
Monoisotopic Mass: 3.8
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]+	250.180156	162.7
[M+Na]+	272.162098	166.4
[M-H]-	248.165604	164.7
[M+NH4]+	267.206703	179.1
[M+K]+	288.136038	164.0
[M+H-H2O]+	232.170140	155.4
[M+HCOO]-	294.171081	184.3
[M+CH3COO]-	308.186731	197.8
[M+Na-2H]-	270.147546	164.3
[M]+	249.17233142	163.8
[M]-	249.17342858	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe