CID 171118811

1-arachidylglycerone 3-phosphate

Structural Information

Molecular Formula
C23H47O6P
SMILES
CCCCCCCCCCCCCCCCCCCCOCC(=O)COP(=O)(O)O
InChI
InChI=1S/C23H47O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-21-23(24)22-29-30(25,26)27/h2-22H2,1H3,(H2,25,26,27)
InChIKey
YDHNYICYCXIUDK-UHFFFAOYSA-N
Compound name
(3-icosoxy-2-oxopropyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.31104 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.31832 214.5
[M+Na]+ 473.30026 217.2
[M-H]- 449.30376 203.6
[M+NH4]+ 468.34486 213.7
[M+K]+ 489.27420 213.3
[M+H-H2O]+ 433.30830 205.2
[M+HCOO]- 495.30924 225.3
[M+CH3COO]- 509.32489 231.0
[M+Na-2H]- 471.28571 199.0
[M]+ 450.31049 212.1
[M]- 450.31159 212.1
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.