PubChemLite - 882847-34-9 (C30H41NO10)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H41NO10/c32-29(33)9-11-35-13-15-37-17-19-39-21-22-40-20-18-38-16-14-36-12-10-31-30(34)41-23-28-26-7-3-1-5-24(26)25-6-2-4-8-27(25)28/h1-8,28H,9-23H2,(H,31,34)(H,32,33)

InChIKey

HEGZERUHBVYZPH-UHFFFAOYSA-N

Compound name

3-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)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]+	576.28038	233.8
[M+Na]+	598.26232	232.2
[M-H]-	574.26582	234.6
[M+NH4]+	593.30692	238.8
[M+K]+	614.23626	231.2
[M+H-H2O]+	558.27036	223.5
[M+HCOO]-	620.27130	250.6
[M+CH3COO]-	634.28695	252.5
[M+Na-2H]-	596.24777	233.3
[M]+	575.27255	248.2
[M]-	575.27365	248.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

576.28038

233.8

[M+Na]+

598.26232

232.2

[M-H]-

574.26582

234.6

[M+NH4]+

593.30692

238.8

[M+K]+

614.23626

231.2

[M+H-H2O]+

558.27036

223.5

[M+HCOO]-

620.27130

250.6

[M+CH3COO]-

634.28695

252.5

[M+Na-2H]-

596.24777

233.3

[M]+

575.27255

248.2

[M]-

575.27365

248.2

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

882847-34-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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