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

151
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 178.2
[M+Na]+ 345.18838 181.4
[M-H]- 321.19188 175.7
[M+NH4]+ 340.23298 191.8
[M+K]+ 361.16232 182.0
[M+H-H2O]+ 305.19642 171.8
[M+HCOO]- 367.19736 196.9
[M+CH3COO]- 381.21301 204.5
[M+Na-2H]- 343.17383 180.3
[M]+ 322.19861 189.3
[M]- 322.19971 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