PubChemLite - 1-fmoc-4-boc-piperazine-2-acetic acid (C26H30N2O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H30N2O6/c1-26(2,3)34-24(31)27-12-13-28(17(15-27)14-23(29)30)25(32)33-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,17,22H,12-16H2,1-3H3,(H,29,30)

InChIKey

XHEXEZVLDQGZFP-UHFFFAOYSA-N

Compound name

2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]acetic 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]+	467.21768	213.2
[M+Na]+	489.19962	216.2
[M-H]-	465.20312	216.6
[M+NH4]+	484.24422	221.2
[M+K]+	505.17356	213.1
[M+H-H2O]+	449.20766	204.4
[M+HCOO]-	511.20860	221.9
[M+CH3COO]-	525.22425	232.1
[M+Na-2H]-	487.18507	210.9
[M]+	466.20985	214.7
[M]-	466.21095	214.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.21768

213.2

[M+Na]+

489.19962

216.2

[M-H]-

465.20312

216.6

[M+NH4]+

484.24422

221.2

[M+K]+

505.17356

213.1

[M+H-H2O]+

449.20766

204.4

[M+HCOO]-

511.20860

221.9

[M+CH3COO]-

525.22425

232.1

[M+Na-2H]-

487.18507

210.9

[M]+

466.20985

214.7

[M]-

466.21095

214.7

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-acetic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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