CID 2733908

5,8,11,14-tetraoxaoctadecane

Structural Information

Molecular Formula
C14H30O4
SMILES
CCCCOCCOCCOCCOCCCC
InChI
InChI=1S/C14H30O4/c1-3-5-7-15-9-11-17-13-14-18-12-10-16-8-6-4-2/h3-14H2,1-2H3
InChIKey
KTSVVTQTKRGWGU-UHFFFAOYSA-N
Compound name
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

4193
Patents

262.21442 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.22170 166.9
[M+Na]+ 285.20364 170.6
[M-H]- 261.20714 165.5
[M+NH4]+ 280.24824 183.7
[M+K]+ 301.17758 170.3
[M+H-H2O]+ 245.21168 160.2
[M+HCOO]- 307.21262 189.0
[M+CH3COO]- 321.22827 199.1
[M+Na-2H]- 283.18909 169.8
[M]+ 262.21387 177.1
[M]- 262.21497 177.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe