PubChemLite - Bis-peg5-nhs ester (C22H32N2O13)

Structural Information

Molecular Formula

SMILES

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O

InChI

InChI=1S/C22H32N2O13/c25-17-1-2-18(26)23(17)36-21(29)5-7-31-9-11-33-13-15-35-16-14-34-12-10-32-8-6-22(30)37-24-19(27)3-4-20(24)28/h1-16H2

InChIKey

FTYUGLBWKRXQBD-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

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]+	533.19768	217.7
[M+Na]+	555.17962	218.2
[M+NH4]+	550.22422	234.8
[M+K]+	571.15356	231.3
[M-H]-	531.18312	228.6
[M+Na-2H]-	553.16507	212.1
[M]+	532.18985	214.4
[M]-	532.19095	214.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

533.19768

217.7

[M+Na]+

555.17962

218.2

[M+NH4]+

550.22422

234.8

[M+K]+

571.15356

231.3

[M-H]-

531.18312

228.6

[M+Na-2H]-

553.16507

212.1

[M]+

532.18985

214.4

[M]-

532.19095

214.4

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

Bis-peg5-nhs ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe