CID 116980

71032-90-1

Structural Information

Molecular Formula
C24H48O5
SMILES
CCCCCCCCC=CCCCCCCCCOC(CO)COCC(CO)O
InChI
InChI=1S/C24H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-24(20-26)22-28-21-23(27)19-25/h9-10,23-27H,2-8,11-22H2,1H3
InChIKey
LPMWAAKSDNAAFA-UHFFFAOYSA-N
Compound name
3-(3-hydroxy-2-octadec-9-enoxypropoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

416.3502 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.35748 211.9
[M+Na]+ 439.33942 215.0
[M+NH4]+ 434.38402 217.5
[M+K]+ 455.31336 217.0
[M-H]- 415.34292 206.3
[M+Na-2H]- 437.32487 207.4
[M]+ 416.34965 214.7
[M]- 416.35075 214.7
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