CID 52928731

Pa(15:0/14:0)

Structural Information

Molecular Formula
C32H63O8P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C32H63O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-31(33)38-28-30(29-39-41(35,36)37)40-32(34)27-25-23-21-19-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3,(H2,35,36,37)/t30-/m1/s1
InChIKey
QPWHOFVGAIAVRC-SSEXGKCCSA-N
Compound name
[(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

606.4261 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.43338 252.6
[M+Na]+ 629.41532 253.5
[M+NH4]+ 624.45992 256.8
[M+K]+ 645.38926 253.0
[M-H]- 605.41882 242.3
[M+Na-2H]- 627.40077 253.3
[M]+ 606.42555 250.4
[M]- 606.42665 250.4
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

No patent data available for this compound.