CID 16218573

252881-74-6

Structural Information

Molecular Formula
C13H27NO5
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCN
InChI
InChI=1S/C13H27NO5/c1-13(2,3)19-12(15)4-6-16-8-10-18-11-9-17-7-5-14/h4-11,14H2,1-3H3
InChIKey
CWFSAZJIJBTKRC-UHFFFAOYSA-N
Compound name
tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

616
Patents

277.18893 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19621 166.6
[M+Na]+ 300.17815 172.2
[M+NH4]+ 295.22275 170.6
[M+K]+ 316.15209 168.9
[M-H]- 276.18165 163.2
[M+Na-2H]- 298.16360 166.3
[M]+ 277.18838 165.9
[M]- 277.18948 165.9
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