CID 131821858

Pa(10:0/13:0)

Structural Information

Molecular Formula
C26H51O8P
SMILES
CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C26H51O8P/c1-3-5-7-9-11-12-13-15-17-19-21-26(28)34-24(23-33-35(29,30)31)22-32-25(27)20-18-16-14-10-8-6-4-2/h24H,3-23H2,1-2H3,(H2,29,30,31)/t24-/m1/s1
InChIKey
IVHOBDBVGVRNQI-XMMPIXPASA-N
Compound name
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

522.33215 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.33943 230.0
[M+Na]+ 545.32137 232.8
[M-H]- 521.32487 223.2
[M+NH4]+ 540.36597 234.1
[M+K]+ 561.29531 230.4
[M+H-H2O]+ 505.32941 221.7
[M+HCOO]- 567.33035 235.7
[M+CH3COO]- 581.34600 242.8
[M+Na-2H]- 543.30682 213.9
[M]+ 522.33160 228.1
[M]- 522.33270 228.1
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.