CID 131822588

Pa(i-24:0/8:0)

Structural Information

Molecular Formula
C35H69O8P
SMILES
CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)O
InChI
InChI=1S/C35H69O8P/c1-4-5-6-21-26-29-35(37)43-33(31-42-44(38,39)40)30-41-34(36)28-25-23-20-18-16-14-12-10-8-7-9-11-13-15-17-19-22-24-27-32(2)3/h32-33H,4-31H2,1-3H3,(H2,38,39,40)/t33-/m1/s1
InChIKey
GXLIIEJAMHQRDN-MGBGTMOVSA-N
Compound name
[(2R)-2-octanoyloxy-3-phosphonooxypropyl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

648.473 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.48028 263.1
[M+Na]+ 671.46222 263.7
[M+NH4]+ 666.50682 268.0
[M+K]+ 687.43616 263.8
[M-H]- 647.46572 253.0
[M+Na-2H]- 669.44767 263.1
[M]+ 648.47245 261.0
[M]- 648.47355 261.0
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.