CID 51035062

905954-28-1

Structural Information

Molecular Formula
C15H31NO8
SMILES
C(COCCOCCOCCOCCOCCOCCN)C(=O)O
InChI
InChI=1S/C15H31NO8/c16-2-4-20-6-8-22-10-12-24-14-13-23-11-9-21-7-5-19-3-1-15(17)18/h1-14,16H2,(H,17,18)
InChIKey
PVRGRRPCHFTMMD-UHFFFAOYSA-N
Compound name
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

239
Patents

353.20496 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21224 183.4
[M+Na]+ 376.19418 186.7
[M+NH4]+ 371.23878 202.0
[M+K]+ 392.16812 183.8
[M-H]- 352.19768 178.3
[M+Na-2H]- 374.17963 180.7
[M]+ 353.20441 181.5
[M]- 353.20551 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe