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

268
Patents

441.2574 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.26468 217.2
[M+Na]+ 464.24662 221.1
[M-H]- 440.25012 210.4
[M+NH4]+ 459.29122 217.7
[M+K]+ 480.22056 213.4
[M+H-H2O]+ 424.25466 217.2
[M+HCOO]- 486.25560 226.5
[M+CH3COO]- 500.27125 227.6
[M+Na-2H]- 462.23207 203.6
[M]+ 441.25685 214.6
[M]- 441.25795 214.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe