CID 16205142

55025-91-7

Structural Information

Molecular Formula
C24H46O5
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(C)OC(=O)C(C)O
InChI
InChI=1S/C24H46O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-24(27)22(3)29-23(26)21(2)25/h21-22,25H,4-20H2,1-3H3
InChIKey
FWTCVFCYYLOCAU-UHFFFAOYSA-N
Compound name
(1-octadecoxy-1-oxopropan-2-yl) 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

414.33453 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.341806 214.3
[M+Na]+ 437.323748 220.5
[M-H]- 413.327254 205.3
[M+NH4]+ 432.368353 217.3
[M+K]+ 453.297688 210.9
[M+H-H2O]+ 397.331790 206.5
[M+HCOO]- 459.332731 217.6
[M+CH3COO]- 473.348381 228.0
[M+Na-2H]- 435.309196 206.6
[M]+ 414.33398142 213.8
[M]- 414.33507858 213.8
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