CID 77078415

Amino-peg5-t-butyl ester

Structural Information

Molecular Formula
C17H35NO7
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C17H35NO7/c1-17(2,3)25-16(19)4-6-20-8-10-22-12-14-24-15-13-23-11-9-21-7-5-18/h4-15,18H2,1-3H3
InChIKey
XSTIRQZQKAJSIM-UHFFFAOYSA-N
Compound name
tert-butyl 3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

365.24136 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.248636 189.9
[M+Na]+ 388.230578 191.6
[M-H]- 364.234084 187.6
[M+NH4]+ 383.275183 198.9
[M+K]+ 404.204518 192.3
[M+H-H2O]+ 348.238620 182.3
[M+HCOO]- 410.239561 209.8
[M+CH3COO]- 424.255211 217.3
[M+Na-2H]- 386.216026 190.7
[M]+ 365.24081142 201.6
[M]- 365.24190858 201.6
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