CID 131822217

Pa(24:1(15z)/24:0)

Structural Information

Molecular Formula
C51H99O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C51H99O8P/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/h17,19,49H,3-16,18,20-48H2,1-2H3,(H2,54,55,56)/b19-17-/t49-/m1/s1
InChIKey
KKTBQPVRIKVPCC-TZYIPVKFSA-N
Compound name
[(2R)-1-phosphonooxy-3-[(Z)-tetracos-15-enoyl]oxypropan-2-yl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

870.70776 Da
Monoisotopic Mass

20.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 871.71504 310.6
[M+Na]+ 893.69698 309.5
[M-H]- 869.70048 294.9
[M+NH4]+ 888.74158 314.5
[M+K]+ 909.67092 317.1
[M+H-H2O]+ 853.70502 299.7
[M+HCOO]- 915.70596 307.3
[M+CH3COO]- 929.72161 308.5
[M+Na-2H]- 891.68243 284.8
[M]+ 870.70721 310.2
[M]- 870.70831 310.2
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.