CID 131822337

Pa(8:0/a-15:0)

Structural Information

Molecular Formula
C26H51O8P
SMILES
CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCC(C)CC
InChI
InChI=1S/C26H51O8P/c1-4-6-7-12-16-19-25(27)32-21-24(22-33-35(29,30)31)34-26(28)20-17-14-11-9-8-10-13-15-18-23(3)5-2/h23-24H,4-22H2,1-3H3,(H2,29,30,31)/t23?,24-/m1/s1
InChIKey
HAUZGVYNAIHXNG-XMMISQBUSA-N
Compound name
[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] 12-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

522.33215 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.33943 229.6
[M+Na]+ 545.32137 232.9
[M-H]- 521.32487 224.3
[M+NH4]+ 540.36597 235.3
[M+K]+ 561.29531 231.0
[M+H-H2O]+ 505.32941 221.9
[M+HCOO]- 567.33035 232.9
[M+CH3COO]- 581.34600 243.5
[M+Na-2H]- 543.30682 214.1
[M]+ 522.33160 227.9
[M]- 522.33270 227.9
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.