PubChemLite - Peg-17 (C34H70O18)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O

InChI

InChI=1S/C34H70O18/c35-1-3-37-5-7-39-9-11-41-13-15-43-17-19-45-21-23-47-25-27-49-29-31-51-33-34-52-32-30-50-28-26-48-24-22-46-20-18-44-16-14-42-12-10-40-8-6-38-4-2-36/h35-36H,1-34H2

InChIKey

NIELXDCPHZJHGM-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

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]+	767.46352	304.4
[M+Na]+	789.44546	298.3
[M-H]-	765.44896	292.3
[M+NH4]+	784.49006	308.0
[M+K]+	805.41940	297.1
[M+H-H2O]+	749.45350	302.9
[M+HCOO]-	811.45444	309.1
[M+CH3COO]-	825.47009	274.5
[M+Na-2H]-	787.43091	279.0
[M]+	766.45569	308.0
[M]-	766.45679	308.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

767.46352

304.4

[M+Na]+

789.44546

298.3

[M-H]-

765.44896

292.3

[M+NH4]+

784.49006

308.0

[M+K]+

805.41940

297.1

[M+H-H2O]+

749.45350

302.9

[M+HCOO]-

811.45444

309.1

[M+CH3COO]-

825.47009

274.5

[M+Na-2H]-

787.43091

279.0

[M]+

766.45569

308.0

[M]-

766.45679

308.0

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

Peg-17

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe