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
2
Annotation Hits

0
References

359
Patents

430.32944 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.336716 217.6
[M+Na]+ 453.318658 224.2
[M-H]- 429.322164 207.5
[M+NH4]+ 448.363263 221.4
[M+K]+ 469.292598 220.2
[M+H-H2O]+ 413.326700 206.4
[M+HCOO]- 475.327641 228.3
[M+CH3COO]- 489.343291 230.7
[M+Na-2H]- 451.304106 210.5
[M]+ 430.32889142 219.3
[M]- 430.32998858 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