CID 131822191

Pa(24:0/24:0)

Structural Information

Molecular Formula
C51H101O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C51H101O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(52)57-47-49(48-58-60(54,55)56)59-51(53)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h49H,3-48H2,1-2H3,(H2,54,55,56)/t49-/m1/s1
InChIKey
BXLMDAAVDOADAY-ANFMRNGASA-N
Compound name
[(2R)-3-phosphonooxy-2-tetracosanoyloxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

872.7234 Da
Monoisotopic Mass

21.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 873.73068 312.9
[M+Na]+ 895.71262 311.2
[M-H]- 871.71612 296.4
[M+NH4]+ 890.75722 316.5
[M+K]+ 911.68656 319.3
[M+H-H2O]+ 855.72066 301.9
[M+HCOO]- 917.72160 308.8
[M+CH3COO]- 931.73725 309.6
[M+Na-2H]- 893.69807 286.5
[M]+ 872.72285 312.7
[M]- 872.72395 312.7
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.