CID 9547176

Dihexadecylphosphatidic acid

Structural Information

Molecular Formula
C35H73O6P
SMILES
CCCCCCCCCCCCCCCCOCC(COP(=O)(O)O)OCCCCCCCCCCCCCCCC
InChI
InChI=1S/C35H73O6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-33-35(34-41-42(36,37)38)40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34H2,1-2H3,(H2,36,37,38)
InChIKey
MEXBVDOQYYYIGG-UHFFFAOYSA-N
Compound name
2,3-dihexadecoxypropyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

36
Patents

620.51447 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.52175 259.9
[M+Na]+ 643.50369 259.8
[M-H]- 619.50719 243.5
[M+NH4]+ 638.54829 258.3
[M+K]+ 659.47763 261.3
[M+H-H2O]+ 603.51173 249.0
[M+HCOO]- 665.51267 265.1
[M+CH3COO]- 679.52832 265.7
[M+Na-2H]- 641.48914 238.4
[M]+ 620.51392 257.1
[M]- 620.51502 257.1
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