CID 424367

N-alpha-benzoyl-l-lysine methyl ester hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₃

SMILES

COC(=O)C(CCCCN)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H20N2O3/c1-19-14(18)12(9-5-6-10-15)16-13(17)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10,15H2,1H3,(H,16,17)

InChIKey

RNFLYGMDYGDLQG-UHFFFAOYSA-N

Compound name

methyl 6-amino-2-benzamidohexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 264.1474 Da
Monoisotopic Mass: 0.9
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]+	265.154676	163.9
[M+Na]+	287.136618	167.1
[M-H]-	263.140124	166.1
[M+NH4]+	282.181223	179.1
[M+K]+	303.110558	165.5
[M+H-H2O]+	247.144660	156.2
[M+HCOO]-	309.145601	186.2
[M+CH3COO]-	323.161251	201.4
[M+Na-2H]-	285.122066	165.1
[M]+	264.14685142	163.8
[M]-	264.14794858	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe