CID 107767

Dmpg

Structural Information

Molecular Formula
C34H67O10P
SMILES
CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C34H67O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-33(37)41-29-32(30-43-45(39,40)42-28-31(36)27-35)44-34(38)26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,35-36H,3-30H2,1-2H3,(H,39,40)
InChIKey
BPHQZTVXXXJVHI-UHFFFAOYSA-N
Compound name
[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

456
References

26021
Patents

666.4472 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.45448 263.4
[M+Na]+ 689.43642 263.4
[M+NH4]+ 684.48102 268.5
[M+K]+ 705.41036 264.1
[M-H]- 665.43992 254.7
[M+Na-2H]- 687.42187 263.6
[M]+ 666.44665 261.7
[M]- 666.44775 261.7
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

patents stripe