CID 131822452

Pa(i-13:0/a-17:0)

Structural Information

Molecular Formula
C33H65O8P
SMILES
CCC(C)CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)O
InChI
InChI=1S/C33H65O8P/c1-5-30(4)24-20-16-12-8-6-7-9-13-18-22-26-33(35)41-31(28-40-42(36,37)38)27-39-32(34)25-21-17-14-10-11-15-19-23-29(2)3/h29-31H,5-28H2,1-4H3,(H2,36,37,38)/t30?,31-/m1/s1
InChIKey
PJCOAXPCICTNGO-NLIBRCFJSA-N
Compound name
[(2R)-1-(11-methyldodecanoyloxy)-3-phosphonooxypropan-2-yl] 14-methylhexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

620.4417 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.44898 256.5
[M+Na]+ 643.43092 257.3
[M+NH4]+ 638.47552 262.3
[M+K]+ 659.40486 257.1
[M-H]- 619.43442 248.3
[M+Na-2H]- 641.41637 257.5
[M]+ 620.44115 255.0
[M]- 620.44225 255.0
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.