CID 22731902

663921-15-1

Structural Information

Molecular Formula
C11H23NO6
SMILES
C(COCCOCCOCCOCCN)C(=O)O
InChI
InChI=1S/C11H23NO6/c12-2-4-16-6-8-18-10-9-17-7-5-15-3-1-11(13)14/h1-10,12H2,(H,13,14)
InChIKey
DKUZHSDZSMQOGQ-UHFFFAOYSA-N
Compound name
3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

915
Patents

265.15253 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15981 161.2
[M+Na]+ 288.14175 166.4
[M+NH4]+ 283.18635 164.7
[M+K]+ 304.11569 163.2
[M-H]- 264.14525 157.4
[M+Na-2H]- 286.12720 160.4
[M]+ 265.15198 160.1
[M]- 265.15308 160.1
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