CID 3068956

1-methyl-2-((1-oxooctyl)oxy)propyl undecanoate

Structural Information

Molecular Formula
C23H44O4
SMILES
CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)CCCCCCC
InChI
InChI=1S/C23H44O4/c1-5-7-9-11-12-13-15-17-19-23(25)27-21(4)20(3)26-22(24)18-16-14-10-8-6-2/h20-21H,5-19H2,1-4H3
InChIKey
SRGXWNCVDLSBEK-UHFFFAOYSA-N
Compound name
3-octanoyloxybutan-2-yl undecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.32397 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.33125 202.5
[M+Na]+ 407.31319 207.4
[M+NH4]+ 402.35779 215.6
[M+K]+ 423.28713 212.3
[M-H]- 383.31669 198.9
[M+Na-2H]- 405.29864 199.8
[M]+ 384.32342 201.6
[M]- 384.32452 201.6
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.