Fmoc-(r)-3-amino-3-(4-nitro-phenyl)-propionic acid (C24H20N2O6)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N2O6/c27-23(28)13-22(15-9-11-16(12-10-15)26(30)31)25-24(29)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,25,29)(H,27,28)/t22-/m1/s1

InChIKey

ODIITDVCGARGIW-JOCHJYFZSA-N

Compound name

(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-nitrophenyl)propanoic 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]+	433.139416	198.6
[M+Na]+	455.121358	200.5
[M-H]-	431.124864	205.0
[M+NH4]+	450.165963	208.6
[M+K]+	471.095298	193.0
[M+H-H2O]+	415.129400	194.3
[M+HCOO]-	477.130341	217.7
[M+CH3COO]-	491.145991	222.3
[M+Na-2H]-	453.106806	201.9
[M]+	432.13159142	198.5
[M]-	432.13268858	198.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.139416

198.6

[M+Na]+

455.121358

200.5

[M-H]-

431.124864

205.0

[M+NH4]+

450.165963

208.6

[M+K]+

471.095298

193.0

[M+H-H2O]+

415.129400

194.3

[M+HCOO]-

477.130341

217.7

[M+CH3COO]-

491.145991

222.3

[M+Na-2H]-

453.106806

201.9

[M]+

432.13159142

198.5

[M]-

432.13268858

198.5

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

Fmoc-(r)-3-amino-3-(4-nitro-phenyl)-propionic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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