PubChemLite - Tco-peg4-nhs ester (C24H38N2O10)

Structural Information

Molecular Formula

SMILES

C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O

InChI

InChI=1S/C24H38N2O10/c27-21-8-9-22(28)26(21)36-23(29)10-12-31-14-16-33-18-19-34-17-15-32-13-11-25-24(30)35-20-6-4-2-1-3-5-7-20/h1-2,20H,3-19H2,(H,25,30)/b2-1-

InChIKey

ZKPMRASGLDBKPF-UPHRSURJSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]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]+	515.25988	184.1
[M+Na]+	537.24182	184.6
[M+NH4]+	532.28642	184.1
[M+K]+	553.21576	184.7
[M-H]-	513.24532	183.1
[M+Na-2H]-	535.22727	183.5
[M]+	514.25205	183.5
[M]-	514.25315	183.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

515.25988

184.1

[M+Na]+

537.24182

184.6

[M+NH4]+

532.28642

184.1

[M+K]+

553.21576

184.7

[M-H]-

513.24532

183.1

[M+Na-2H]-

535.22727

183.5

[M]+

514.25205

183.5

[M]-

514.25315

183.5

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

Tco-peg4-nhs ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe