CID 52928903

Pa(18:0/17:0)

Structural Information

Molecular Formula
C38H75O8P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCC
InChI
InChI=1S/C38H75O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-37(39)44-34-36(35-45-47(41,42)43)46-38(40)33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h36H,3-35H2,1-2H3,(H2,41,42,43)/t36-/m1/s1
InChIKey
QARUBQKSWASZMK-PSXMRANNSA-N
Compound name
[(2R)-2-heptadecanoyloxy-3-phosphonooxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

690.51996 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 691.52724 271.5
[M+Na]+ 713.50918 272.1
[M-H]- 689.51268 260.0
[M+NH4]+ 708.55378 275.3
[M+K]+ 729.48312 274.7
[M+H-H2O]+ 673.51722 261.8
[M+HCOO]- 735.51816 272.4
[M+CH3COO]- 749.53381 275.9
[M+Na-2H]- 711.49463 250.2
[M]+ 690.51941 269.9
[M]- 690.52051 269.9
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.