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

77
Patents

365.24136 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.24864 189.9
[M+Na]+ 388.23058 191.6
[M-H]- 364.23408 187.6
[M+NH4]+ 383.27518 198.9
[M+K]+ 404.20452 192.3
[M+H-H2O]+ 348.23862 182.3
[M+HCOO]- 410.23956 209.8
[M+CH3COO]- 424.25521 217.3
[M+Na-2H]- 386.21603 190.7
[M]+ 365.24081 201.6
[M]- 365.24191 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