CID 131822489

Pa(i-20:0/14:0)

Structural Information

Molecular Formula
C37H73O8P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)O
InChI
InChI=1S/C37H73O8P/c1-4-5-6-7-8-9-14-19-22-25-28-31-37(39)45-35(33-44-46(40,41)42)32-43-36(38)30-27-24-21-18-16-13-11-10-12-15-17-20-23-26-29-34(2)3/h34-35H,4-33H2,1-3H3,(H2,40,41,42)/t35-/m1/s1
InChIKey
ZUBLPAVXWBHFRQ-PGUFJCEWSA-N
Compound name
[(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] 18-methylnonadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

676.50433 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.51161 269.8
[M+Na]+ 699.49355 270.3
[M+NH4]+ 694.53815 274.6
[M+K]+ 715.46749 270.8
[M-H]- 675.49705 259.0
[M+Na-2H]- 697.47900 269.2
[M]+ 676.50378 267.6
[M]- 676.50488 267.6
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.