CID 51340928

581065-95-4

Structural Information

Molecular Formula
C15H31NO6
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCN
InChI
InChI=1S/C15H31NO6/c1-15(2,3)22-14(17)4-6-18-8-10-20-12-13-21-11-9-19-7-5-16/h4-13,16H2,1-3H3
InChIKey
PKESARRNSGIDRD-UHFFFAOYSA-N
Compound name
tert-butyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

386
Patents

321.21515 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.22243 177.7
[M+Na]+ 344.20437 182.3
[M+NH4]+ 339.24897 180.7
[M+K]+ 360.17831 179.2
[M-H]- 320.20787 173.6
[M+Na-2H]- 342.18982 176.4
[M]+ 321.21460 176.6
[M]- 321.21570 176.6
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