CID 11174684

518044-32-1

Structural Information

Molecular Formula
C15H30O7
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCO
InChI
InChI=1S/C15H30O7/c1-15(2,3)22-14(17)4-6-18-8-10-20-12-13-21-11-9-19-7-5-16/h16H,4-13H2,1-3H3
InChIKey
FJRDXEGYAVAMLB-UHFFFAOYSA-N
Compound name
tert-butyl 3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

322.19916 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.20644 176.7
[M+Na]+ 345.18838 181.9
[M+NH4]+ 340.23298 179.5
[M+K]+ 361.16232 179.0
[M-H]- 321.19188 171.6
[M+Na-2H]- 343.17383 175.2
[M]+ 322.19861 175.4
[M]- 322.19971 175.4
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