CID 14680592

5-[11-hydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one

Structural Information

Molecular Formula
C35H64O6
SMILES
CCCCCCCCCCCCC(C1CCC(O1)C(CCCCCCCCCCC2CC(C(=O)O2)CC(=O)C)O)O
InChI
InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-13-16-19-22-31(37)33-24-25-34(41-33)32(38)23-20-17-14-11-10-12-15-18-21-30-27-29(26-28(2)36)35(39)40-30/h29-34,37-38H,3-27H2,1-2H3
InChIKey
DPGGJXIYFHNDLV-UHFFFAOYSA-N
Compound name
5-[11-hydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.4703 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.47758 261.0
[M+Na]+ 603.45952 255.1
[M-H]- 579.46302 261.4
[M+NH4]+ 598.50412 263.4
[M+K]+ 619.43346 251.5
[M+H-H2O]+ 563.46756 253.4
[M+HCOO]- 625.46850 267.3
[M+CH3COO]- 639.48415 256.8
[M+Na-2H]- 601.44497 245.9
[M]+ 580.46975 267.0
[M]- 580.47085 267.0
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

No patent data available for this compound.