CID 81803

Decanoic acid, 2-[2-[2-[(1-oxooctyl)oxy]ethoxy]ethoxy]ethyl ester

Structural Information

Molecular Formula
C24H46O6
SMILES
CCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC
InChI
InChI=1S/C24H46O6/c1-3-5-7-9-10-12-14-16-24(26)30-22-20-28-18-17-27-19-21-29-23(25)15-13-11-8-6-4-2/h3-22H2,1-2H3
InChIKey
RCGZRZBMXNWTFH-UHFFFAOYSA-N
Compound name
2-[2-(2-octanoyloxyethoxy)ethoxy]ethyl decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

322
Patents

430.32944 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.33672 217.6
[M+Na]+ 453.31866 224.2
[M-H]- 429.32216 207.5
[M+NH4]+ 448.36326 221.4
[M+K]+ 469.29260 220.2
[M+H-H2O]+ 413.32670 206.4
[M+HCOO]- 475.32764 228.3
[M+CH3COO]- 489.34329 230.7
[M+Na-2H]- 451.30411 210.5
[M]+ 430.32889 219.3
[M]- 430.32999 219.3
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