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

392
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 179.3
[M+Na]+ 344.20437 182.0
[M-H]- 320.20787 177.5
[M+NH4]+ 339.24897 193.0
[M+K]+ 360.17831 182.5
[M+H-H2O]+ 304.21241 172.3
[M+HCOO]- 366.21335 199.6
[M+CH3COO]- 380.22900 209.4
[M+Na-2H]- 342.18982 180.8
[M]+ 321.21460 188.8
[M]- 321.21570 188.8
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