CID 28999

18268-70-7

Structural Information

Molecular Formula
C24H46O7
SMILES
CCCCC(CC)C(=O)OCCOCCOCCOCCOC(=O)C(CC)CCCC
InChI
InChI=1S/C24H46O7/c1-5-9-11-21(7-3)23(25)30-19-17-28-15-13-27-14-16-29-18-20-31-24(26)22(8-4)12-10-6-2/h21-22H,5-20H2,1-4H3
InChIKey
GYHPTPQZVBYHLC-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1654
Patents

446.32434 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.33162 225.9
[M+Na]+ 469.31356 226.5
[M+NH4]+ 464.35816 229.6
[M+K]+ 485.28750 225.1
[M-H]- 445.31706 216.9
[M+Na-2H]- 467.29901 228.7
[M]+ 446.32379 223.7
[M]- 446.32489 223.7
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