CID 171120975

Pg(10:0/14:0)

Structural Information

Molecular Formula
C30H59O10P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)OCC(CO)O
InChI
InChI=1S/C30H59O10P/c1-3-5-7-9-11-12-13-14-16-18-20-22-30(34)40-28(26-39-41(35,36)38-24-27(32)23-31)25-37-29(33)21-19-17-15-10-8-6-4-2/h27-28,31-32H,3-26H2,1-2H3,(H,35,36)/t27?,28-/m1/s1
InChIKey
WRLVQUOKTFODIY-PLYLYKGUSA-N
Compound name
[(2R)-1-decanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.3846 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.39188 250.6
[M+Na]+ 633.37382 251.0
[M-H]- 609.37732 244.5
[M+NH4]+ 628.41842 255.2
[M+K]+ 649.34776 250.6
[M+H-H2O]+ 593.38186 241.4
[M+HCOO]- 655.38280 250.3
[M+CH3COO]- 669.39845 256.3
[M+Na-2H]- 631.35927 231.5
[M]+ 610.38405 248.6
[M]- 610.38515 248.6
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

No patent data available for this compound.