CID 151405

L-lysine-p-nitroanilide

Structural Information

Molecular Formula

C₁₂H₁₈N₄O₃

SMILES

C1=CC(=CC=C1NC(=O)[C@H](CCCCN)N)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O3/c13-8-2-1-3-11(14)12(17)15-9-4-6-10(7-5-9)16(18)19/h4-7,11H,1-3,8,13-14H2,(H,15,17)/t11-/m0/s1

InChIKey

VUUNELJIFNFWJC-NSHDSACASA-N

Compound name

(2S)-2,6-diamino-N-(4-nitrophenyl)hexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 90
Patents: 266.13788 Da
Monoisotopic Mass: 0.2
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]+	267.14516	159.5
[M+Na]+	289.12710	167.1
[M+NH4]+	284.17170	164.9
[M+K]+	305.10104	165.8
[M-H]-	265.13060	162.3
[M+Na-2H]-	287.11255	162.7
[M]+	266.13733	160.6
[M]-	266.13843	160.6

Literature stripe

literature stripe

Patent stripe

patents stripe