PubChemLite - 1-fmoc-4-boc-piperazine-2-carboxylic acid (C25H28N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C25H28N2O6/c1-25(2,3)33-23(30)26-12-13-27(21(14-26)22(28)29)24(31)32-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20-21H,12-15H2,1-3H3,(H,28,29)

InChIKey

QXTDDEUDYKMSQN-UHFFFAOYSA-N

Compound name

1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic 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	212.3
[M-H]-	451.18745	212.4
[M+NH4]+	470.22855	217.3
[M+K]+	491.15789	209.3
[M+H-H2O]+	435.19199	200.1
[M+HCOO]-	497.19293	217.9
[M+CH3COO]-	511.20858	229.2
[M+Na-2H]-	473.16940	206.9
[M]+	452.19418	210.0
[M]-	452.19528	210.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.20201

208.8

[M+Na]+

475.18395

212.3

[M-H]-

451.18745

212.4

[M+NH4]+

470.22855

217.3

[M+K]+

491.15789

209.3

[M+H-H2O]+

435.19199

200.1

[M+HCOO]-

497.19293

217.9

[M+CH3COO]-

511.20858

229.2

[M+Na-2H]-

473.16940

206.9

[M]+

452.19418

210.0

[M]-

452.19528

210.0

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

1-fmoc-4-boc-piperazine-2-carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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