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

120
Patents

322.19916 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.206436 178.2
[M+Na]+ 345.188378 181.4
[M-H]- 321.191884 175.7
[M+NH4]+ 340.232983 191.8
[M+K]+ 361.162318 182.0
[M+H-H2O]+ 305.196420 171.8
[M+HCOO]- 367.197361 196.9
[M+CH3COO]- 381.213011 204.5
[M+Na-2H]- 343.173826 180.3
[M]+ 322.19861142 189.3
[M]- 322.19970858 189.3
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