4-(boc-amino)-1-fmoc-piperdine-4-carboxylic acid (C26H30N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)NC1(CCN(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

InChI

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

InChIKey

SHJZHFAOEGNFGY-UHFFFAOYSA-N

Compound name

1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-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]+	467.217676	211.4
[M+Na]+	489.199618	213.9
[M-H]-	465.203124	215.9
[M+NH4]+	484.244223	222.2
[M+K]+	505.173558	211.4
[M+H-H2O]+	449.207660	203.5
[M+HCOO]-	511.208601	222.6
[M+CH3COO]-	525.224251	232.9
[M+Na-2H]-	487.185066	212.0
[M]+	466.20985142	211.9
[M]-	466.21094858	211.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.217676

211.4

[M+Na]+

489.199618

213.9

[M-H]-

465.203124

215.9

[M+NH4]+

484.244223

222.2

[M+K]+

505.173558

211.4

[M+H-H2O]+

449.207660

203.5

[M+HCOO]-

511.208601

222.6

[M+CH3COO]-

525.224251

232.9

[M+Na-2H]-

487.185066

212.0

[M]+

466.20985142

211.9

[M]-

466.21094858

211.9

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

4-(boc-amino)-1-fmoc-piperdine-4-carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe