CID 165362850

59599-56-3

Structural Information

Molecular Formula
C30H60O5
SMILES
CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCC
InChI
InChI=1S/C30H60O5/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-32-24-25-33-26-27-34-28-29-35-30(31)22-20-18-16-10-8-6-4-2/h3-29H2,1-2H3
InChIKey
SDBNBXDDPRCDFH-UHFFFAOYSA-N
Compound name
2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.44406 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.45134 239.5
[M+Na]+ 523.43328 244.4
[M-H]- 499.43678 224.1
[M+NH4]+ 518.47788 240.4
[M+K]+ 539.40722 242.9
[M+H-H2O]+ 483.44132 240.3
[M+HCOO]- 545.44226 249.2
[M+CH3COO]- 559.45791 246.7
[M+Na-2H]- 521.41873 224.7
[M]+ 500.44351 240.7
[M]- 500.44461 240.7
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.