CID 131822223

Pa(8:0/16:0)

Structural Information

Molecular Formula
C27H53O8P
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C27H53O8P/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22-27(29)35-25(24-34-36(30,31)32)23-33-26(28)21-19-17-8-6-4-2/h25H,3-24H2,1-2H3,(H2,30,31,32)/t25-/m1/s1
InChIKey
NBGYMIBBQTZWEQ-RUZDIDTESA-N
Compound name
[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

536.3478 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.35508 235.4
[M+Na]+ 559.33702 236.8
[M+NH4]+ 554.38162 239.7
[M+K]+ 575.31096 235.3
[M-H]- 535.34052 226.7
[M+Na-2H]- 557.32247 237.7
[M]+ 536.34725 233.5
[M]- 536.34835 233.5
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.