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

5
Patents

264.1474 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 163.9
[M+Na]+ 287.13662 167.1
[M-H]- 263.14012 166.1
[M+NH4]+ 282.18122 179.1
[M+K]+ 303.11056 165.5
[M+H-H2O]+ 247.14466 156.2
[M+HCOO]- 309.14560 186.2
[M+CH3COO]- 323.16125 201.4
[M+Na-2H]- 285.12207 165.1
[M]+ 264.14685 163.8
[M]- 264.14795 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.