CID 86289569

1-palmityl-2-acetyl-sn-glycero-3-phosphate(2-)

Structural Information

Molecular Formula
C21H43O7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)OC(=O)C
InChI
InChI=1S/C21H43O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-18-21(28-20(2)22)19-27-29(23,24)25/h21H,3-19H2,1-2H3,(H2,23,24,25)/t21-/m1/s1
InChIKey
LFXXHOKHXNWYDX-OAQYLSRUSA-N
Compound name
[(2R)-1-hexadecoxy-3-phosphonooxypropan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.27463 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.28191 213.8
[M+Na]+ 461.26385 215.6
[M+NH4]+ 456.30845 217.0
[M+K]+ 477.23779 212.8
[M-H]- 437.26735 204.7
[M+Na-2H]- 459.24930 217.4
[M]+ 438.27408 211.5
[M]- 438.27518 211.5
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.