CID 6993421

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

Structural Information

Molecular Formula
C14H20N2O3
SMILES
COC(=O)[C@H](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)/t12-/m0/s1
InChIKey
RNFLYGMDYGDLQG-LBPRGKRZSA-N
Compound name
methyl (2S)-6-amino-2-benzamidohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

literature stripe

Patent stripe

patents stripe