CID 131822529

Pa(i-21:0/a-13:0)

Structural Information

Molecular Formula
C37H73O8P
SMILES
CCC(C)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)O
InChI
InChI=1S/C37H73O8P/c1-5-34(4)28-24-20-17-18-22-26-30-37(39)45-35(32-44-46(40,41)42)31-43-36(38)29-25-21-16-14-12-10-8-6-7-9-11-13-15-19-23-27-33(2)3/h33-35H,5-32H2,1-4H3,(H2,40,41,42)/t34?,35-/m1/s1
InChIKey
YTFBRXFNNIWPKG-ICBMVRCQSA-N
Compound name
[(2R)-2-(10-methyldodecanoyloxy)-3-phosphonooxypropyl] 19-methylicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

676.50433 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.51161 270.1
[M+Na]+ 699.49355 270.5
[M+NH4]+ 694.53815 275.8
[M+K]+ 715.46749 271.1
[M-H]- 675.49705 260.6
[M+Na-2H]- 697.47900 269.8
[M]+ 676.50378 268.3
[M]- 676.50488 268.3
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.