CID 3625858

186020-66-6

Structural Information

Molecular Formula
C13H26O6
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCO
InChI
InChI=1S/C13H26O6/c1-13(2,3)19-12(15)4-6-16-8-10-18-11-9-17-7-5-14/h14H,4-11H2,1-3H3
InChIKey
KSXVEOLRERRELV-UHFFFAOYSA-N
Compound name
tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

390
Patents

278.17294 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18022 167.2
[M+Na]+ 301.16216 171.4
[M-H]- 277.16566 165.0
[M+NH4]+ 296.20676 182.7
[M+K]+ 317.13610 171.8
[M+H-H2O]+ 261.17020 161.4
[M+HCOO]- 323.17114 186.3
[M+CH3COO]- 337.18679 196.5
[M+Na-2H]- 299.14761 170.0
[M]+ 278.17239 176.0
[M]- 278.17349 176.0
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

No patent data available for this compound.