CID 66936

106-08-1

Structural Information

Molecular Formula
C30H60O11
SMILES
CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C30H60O11/c1-2-3-4-5-6-7-8-9-10-11-30(32)41-29-28-40-27-26-39-25-24-38-23-22-37-21-20-36-19-18-35-17-16-34-15-14-33-13-12-31/h31H,2-29H2,1H3
InChIKey
FGGVRPFJBBRZFG-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

590
Patents

596.4136 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.42088 257.8
[M+Na]+ 619.40282 258.4
[M-H]- 595.40632 245.8
[M+NH4]+ 614.44742 260.7
[M+K]+ 635.37676 256.3
[M+H-H2O]+ 579.41086 258.1
[M+HCOO]- 641.41180 265.6
[M+CH3COO]- 655.42745 254.6
[M+Na-2H]- 617.38827 239.4
[M]+ 596.41305 258.6
[M]- 596.41415 258.6
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