CID 131822593

Pa(i-24:0/a-25:0)

Structural Information

Molecular Formula
C52H103O8P
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)O
InChI
InChI=1S/C52H103O8P/c1-5-49(4)43-39-35-31-27-23-19-15-11-7-9-13-17-21-25-29-33-37-41-45-52(54)60-50(47-59-61(55,56)57)46-58-51(53)44-40-36-32-28-24-20-16-12-8-6-10-14-18-22-26-30-34-38-42-48(2)3/h48-50H,5-47H2,1-4H3,(H2,55,56,57)/t49?,50-/m1/s1
InChIKey
BXMPPSZGBMFAIE-RXFWMZJNSA-N
Compound name
[(2R)-1-(22-methyltricosanoyloxy)-3-phosphonooxypropan-2-yl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

886.7391 Da
Monoisotopic Mass

21.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 887.74638 314.5
[M+Na]+ 909.72832 313.8
[M-H]- 885.73182 300.8
[M+NH4]+ 904.77292 321.4
[M+K]+ 925.70226 323.2
[M+H-H2O]+ 869.73636 304.7
[M+HCOO]- 931.73730 305.2
[M+CH3COO]- 945.75295 313.0
[M+Na-2H]- 907.71377 289.2
[M]+ 886.73855 315.3
[M]- 886.73965 315.3
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.