PubChemLite - Fmoc-dap(alloc)-oh (C22H22N2O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C22H22N2O6/c1-2-11-29-21(27)23-12-19(20(25)26)24-22(28)30-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19H,1,11-13H2,(H,23,27)(H,24,28)(H,25,26)/t19-/m0/s1

InChIKey

MPVGCCAXXFLGIU-IBGZPJMESA-N

Compound name

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(prop-2-enoxycarbonylamino)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]+	411.15508	194.8
[M+Na]+	433.13702	197.6
[M-H]-	409.14052	197.9
[M+NH4]+	428.18162	207.0
[M+K]+	449.11096	194.9
[M+H-H2O]+	393.14506	187.2
[M+HCOO]-	455.14600	213.6
[M+CH3COO]-	469.16165	226.1
[M+Na-2H]-	431.12247	195.3
[M]+	410.14725	197.9
[M]-	410.14835	197.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.15508

194.8

[M+Na]+

433.13702

197.6

[M-H]-

409.14052

197.9

[M+NH4]+

428.18162

207.0

[M+K]+

449.11096

194.9

[M+H-H2O]+

393.14506

187.2

[M+HCOO]-

455.14600

213.6

[M+CH3COO]-

469.16165

226.1

[M+Na-2H]-

431.12247

195.3

[M]+

410.14725

197.9

[M]-

410.14835

197.9

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

Fmoc-dap(alloc)-oh

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe