CID 131822535

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

Structural Information

Molecular Formula
C37H73O8P
SMILES
CC(C)CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCC(C)C
InChI
InChI=1S/C37H73O8P/c1-33(2)27-23-19-15-12-10-8-6-5-7-9-11-13-17-21-25-29-36(38)43-31-35(32-44-46(40,41)42)45-37(39)30-26-22-18-14-16-20-24-28-34(3)4/h33-35H,5-32H2,1-4H3,(H2,40,41,42)/t35-/m1/s1
InChIKey
HEDSJZYWVOIHCM-PGUFJCEWSA-N
Compound name
[(2R)-2-(11-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 267.0
[M+Na]+ 699.49355 268.8
[M-H]- 675.49705 259.0
[M+NH4]+ 694.53815 274.0
[M+K]+ 715.46749 272.1
[M+H-H2O]+ 659.50159 258.6
[M+HCOO]- 721.50253 263.5
[M+CH3COO]- 735.51818 274.5
[M+Na-2H]- 697.47900 247.5
[M]+ 676.50378 266.0
[M]- 676.50488 266.0
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.