CID 51340929

Amino-peg8-acid

Structural Information

Molecular Formula

C₁₉H₃₉NO₁₀

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCN)C(=O)O

InChI

InChI=1S/C19H39NO10/c20-2-4-24-6-8-26-10-12-28-14-16-30-18-17-29-15-13-27-11-9-25-7-5-23-3-1-19(21)22/h1-18,20H2,(H,21,22)

InChIKey

YLKOHZCQTVYVDB-UHFFFAOYSA-N

Compound name

3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 239
Patents: 441.2574 Da
Monoisotopic Mass: -4.7
XlogP (predicted)

Profile

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]+	442.264676	217.2
[M+Na]+	464.246618	221.1
[M-H]-	440.250124	210.4
[M+NH4]+	459.291223	217.7
[M+K]+	480.220558	213.4
[M+H-H2O]+	424.254660	217.2
[M+HCOO]-	486.255601	226.5
[M+CH3COO]-	500.271251	227.6
[M+Na-2H]-	462.232066	203.6
[M]+	441.25685142	214.6
[M]-	441.25794858	214.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe