PubChemLite - Fmoc-lys(alloc)-oh (C25H28N2O6)

Structural Information

Molecular Formula

SMILES

C=CCOC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C25H28N2O6/c1-2-15-32-24(30)26-14-8-7-13-22(23(28)29)27-25(31)33-16-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h2-6,9-12,21-22H,1,7-8,13-16H2,(H,26,30)(H,27,31)(H,28,29)/t22-/m0/s1

InChIKey

OJBNDXHENJDCBA-QFIPXVFZSA-N

Compound name

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(prop-2-enoxycarbonylamino)hexanoic acid

Related CIDs

2D Structure

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]+	453.20201	208.8
[M+Na]+	475.18395	214.6
[M+NH4]+	470.22855	212.1
[M+K]+	491.15789	211.9
[M-H]-	451.18745	208.2
[M+Na-2H]-	473.16940	208.5
[M]+	452.19418	208.7
[M]-	452.19528	208.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.20201

208.8

[M+Na]+

475.18395

214.6

[M+NH4]+

470.22855

212.1

[M+K]+

491.15789

211.9

[M-H]-

451.18745

208.2

[M+Na-2H]-

473.16940

208.5

[M]+

452.19418

208.7

[M]-

452.19528

208.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Fmoc-lys(alloc)-oh

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe