PubChemLite - 1-[(tert-butoxy)carbonyl]-3-{[(9h-fluoren-9-ylmethoxy)carbonyl]amino}piperidine-3-carboxylic acid (C26H30N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

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

InChIKey

VXJHDZRKJBBFKW-UHFFFAOYSA-N

Compound name

3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-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]+	467.21768	211.4
[M+Na]+	489.19962	213.9
[M-H]-	465.20312	215.9
[M+NH4]+	484.24422	222.2
[M+K]+	505.17356	211.4
[M+H-H2O]+	449.20766	203.5
[M+HCOO]-	511.20860	222.6
[M+CH3COO]-	525.22425	232.9
[M+Na-2H]-	487.18507	212.0
[M]+	466.20985	211.9
[M]-	466.21095	211.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.21768

211.4

[M+Na]+

489.19962

213.9

[M-H]-

465.20312

215.9

[M+NH4]+

484.24422

222.2

[M+K]+

505.17356

211.4

[M+H-H2O]+

449.20766

203.5

[M+HCOO]-

511.20860

222.6

[M+CH3COO]-

525.22425

232.9

[M+Na-2H]-

487.18507

212.0

[M]+

466.20985

211.9

[M]-

466.21095

211.9

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

1-[(tert-butoxy)carbonyl]-3-{[(9h-fluoren-9-ylmethoxy)carbonyl]amino}piperidine-3-carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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