CID 131822359

Pa(a-13:0/i-12:0)

Structural Information

Molecular Formula
C28H55O8P
SMILES
CCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC(C)C
InChI
InChI=1S/C28H55O8P/c1-5-25(4)19-15-11-7-9-12-16-20-27(29)34-22-26(23-35-37(31,32)33)36-28(30)21-17-13-8-6-10-14-18-24(2)3/h24-26H,5-23H2,1-4H3,(H2,31,32,33)/t25?,26-/m1/s1
InChIKey
KXXIDRGIKFBJDL-FXDYGKIASA-N
Compound name
[(2R)-2-(10-methylundecanoyloxy)-3-phosphonooxypropyl] 10-methyldodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

550.36346 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.37074 236.1
[M+Na]+ 573.35268 239.6
[M-H]- 549.35618 231.6
[M+NH4]+ 568.39728 243.4
[M+K]+ 589.32662 239.1
[M+H-H2O]+ 533.36072 228.8
[M+HCOO]- 595.36166 236.3
[M+CH3COO]- 609.37731 249.9
[M+Na-2H]- 571.33813 220.5
[M]+ 550.36291 234.8
[M]- 550.36401 234.8
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.