CID 131821857

Pa(8:0/22:0)

Structural Information

Molecular Formula
C33H65O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C33H65O8P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-33(35)41-31(30-40-42(36,37)38)29-39-32(34)27-25-23-8-6-4-2/h31H,3-30H2,1-2H3,(H2,36,37,38)/t31-/m1/s1
InChIKey
NBFYVXPJJWKYPK-WJOKGBTCSA-N
Compound name
[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] docosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

620.4417 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.44898 256.0
[M+Na]+ 643.43092 256.9
[M+NH4]+ 638.47552 260.2
[M+K]+ 659.40486 256.5
[M-H]- 619.43442 245.4
[M+Na-2H]- 641.41637 256.4
[M]+ 620.44115 253.7
[M]- 620.44225 253.7
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.