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]+ 649.480276 260.9
[M+Na]+ 671.462218 262.6
[M-H]- 647.465724 252.1
[M+NH4]+ 666.506823 266.4
[M+K]+ 687.436158 264.4
[M+H-H2O]+ 631.470260 252.2
[M+HCOO]- 693.471201 260.6
[M+CH3COO]- 707.486851 268.5
[M+Na-2H]- 669.447666 241.5
[M]+ 648.47245142 259.5
[M]- 648.47354858 259.5
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.