PubChemLite - 2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaoctatriacontan-38-oic acid succinimidyl ester (C30H55NO16)

Structural Information

Molecular Formula

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O

InChI

InChI=1S/C30H55NO16/c1-35-6-7-37-10-11-39-14-15-41-18-19-43-22-23-45-26-27-46-25-24-44-21-20-42-17-16-40-13-12-38-9-8-36-5-4-30(34)47-31-28(32)2-3-29(31)33/h2-27H2,1H3

InChIKey

ZMXRHHJWXLKMTL-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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]+	686.35938	275.0
[M+Na]+	708.34132	278.9
[M-H]-	684.34482	270.3
[M+NH4]+	703.38592	286.0
[M+K]+	724.31526	272.2
[M+H-H2O]+	668.34936	278.8
[M+HCOO]-	730.35030	290.3
[M+CH3COO]-	744.36595	266.4
[M+Na-2H]-	706.32677	256.4
[M]+	685.35155	280.0
[M]-	685.35265	280.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

686.35938

275.0

[M+Na]+

708.34132

278.9

[M-H]-

684.34482

270.3

[M+NH4]+

703.38592

286.0

[M+K]+

724.31526

272.2

[M+H-H2O]+

668.34936

278.8

[M+HCOO]-

730.35030

290.3

[M+CH3COO]-

744.36595

266.4

[M+Na-2H]-

706.32677

256.4

[M]+

685.35155

280.0

[M]-

685.35265

280.0

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

2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaoctatriacontan-38-oic acid succinimidyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe