CID 73557356

174974-45-9

Structural Information

Molecular Formula
C27H48O8
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)O
InChI
InChI=1S/C27H48O8/c1-20(2)18-16-14-12-10-8-6-7-9-11-13-15-17-19-24(28)33-22(4)26(31)35-23(5)27(32)34-21(3)25(29)30/h20-23H,6-19H2,1-5H3,(H,29,30)
InChIKey
IHEZIKABKMRHIH-UHFFFAOYSA-N
Compound name
2-[2-[2-(16-methylheptadecanoyloxy)propanoyloxy]propanoyloxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.33493 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.34221 234.1
[M+Na]+ 523.32415 235.0
[M+NH4]+ 518.36875 240.6
[M+K]+ 539.29809 234.7
[M-H]- 499.32765 231.1
[M+Na-2H]- 521.30960 238.1
[M]+ 500.33438 233.9
[M]- 500.33548 233.9
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.