PubChemLite - Einecs 276-256-4 (C26H32N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)NCCCCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C26H32N2O6/c1-26(2,3)34-24(31)27-15-9-8-14-22(23(29)30)28-25(32)33-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)

InChIKey

UMRUUWFGLGNQLI-UHFFFAOYSA-N

Compound name

2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic 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]+	469.23332	214.3
[M+Na]+	491.21526	215.3
[M-H]-	467.21876	216.8
[M+NH4]+	486.25986	224.3
[M+K]+	507.18920	213.3
[M+H-H2O]+	451.22330	206.8
[M+HCOO]-	513.22424	229.8
[M+CH3COO]-	527.23989	238.1
[M+Na-2H]-	489.20071	214.1
[M]+	468.22549	218.8
[M]-	468.22659	218.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.23332

214.3

[M+Na]+

491.21526

215.3

[M-H]-

467.21876

216.8

[M+NH4]+

486.25986

224.3

[M+K]+

507.18920

213.3

[M+H-H2O]+

451.22330

206.8

[M+HCOO]-

513.22424

229.8

[M+CH3COO]-

527.23989

238.1

[M+Na-2H]-

489.20071

214.1

[M]+

468.22549

218.8

[M]-

468.22659

218.8

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

Einecs 276-256-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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