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]+ 453.261176 211.8
[M+Na]+ 475.243118 215.5
[M-H]- 451.246624 207.0
[M+NH4]+ 470.287723 216.1
[M+K]+ 491.217058 211.1
[M+H-H2O]+ 435.251160 204.2
[M+HCOO]- 497.252101 219.6
[M+CH3COO]- 511.267751 228.5
[M+Na-2H]- 473.228566 198.0
[M]+ 452.25335142 210.1
[M]- 452.25444858 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.