PubChemLite - Fmoc-n-amido-peg7-acid (C32H45NO11)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)O

InChI

InChI=1S/C32H45NO11/c34-31(35)9-11-37-13-15-39-17-19-41-21-23-43-24-22-42-20-18-40-16-14-38-12-10-33-32(36)44-25-30-28-7-3-1-5-26(28)27-6-2-4-8-29(27)30/h1-8,30H,9-25H2,(H,33,36)(H,34,35)

InChIKey

QTWMNLIXRWCJSM-UHFFFAOYSA-N

Compound name

3-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic 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]+	620.30654	242.7
[M+Na]+	642.28848	239.7
[M-H]-	618.29198	243.0
[M+NH4]+	637.33308	245.6
[M+K]+	658.26242	239.3
[M+H-H2O]+	602.29652	231.8
[M+HCOO]-	664.29746	258.8
[M+CH3COO]-	678.31311	260.0
[M+Na-2H]-	640.27393	241.8
[M]+	619.29871	259.0
[M]-	619.29981	259.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

620.30654

242.7

[M+Na]+

642.28848

239.7

[M-H]-

618.29198

243.0

[M+NH4]+

637.33308

245.6

[M+K]+

658.26242

239.3

[M+H-H2O]+

602.29652

231.8

[M+HCOO]-

664.29746

258.8

[M+CH3COO]-

678.31311

260.0

[M+Na-2H]-

640.27393

241.8

[M]+

619.29871

259.0

[M]-

619.29981

259.0

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

Fmoc-n-amido-peg7-acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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