CID 131821863

Pa(10:0/8:0)

Structural Information

Molecular Formula
C21H41O8P
SMILES
CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC
InChI
InChI=1S/C21H41O8P/c1-3-5-7-9-10-12-13-15-20(22)27-17-19(18-28-30(24,25)26)29-21(23)16-14-11-8-6-4-2/h19H,3-18H2,1-2H3,(H2,24,25,26)/t19-/m1/s1
InChIKey
KGGUWSAEMWMREA-LJQANCHMSA-N
Compound name
[(2R)-2-octanoyloxy-3-phosphonooxypropyl] decanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

452.2539 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.26118 211.8
[M+Na]+ 475.24312 215.5
[M-H]- 451.24662 207.0
[M+NH4]+ 470.28772 216.1
[M+K]+ 491.21706 211.1
[M+H-H2O]+ 435.25116 204.2
[M+HCOO]- 497.25210 219.6
[M+CH3COO]- 511.26775 228.5
[M+Na-2H]- 473.22857 198.0
[M]+ 452.25335 210.1
[M]- 452.25445 210.1
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.