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 210.6
[M+Na]+ 461.26385 213.7
[M-H]- 437.26735 202.8
[M+NH4]+ 456.30845 212.3
[M+K]+ 477.23779 209.3
[M+H-H2O]+ 421.27189 202.3
[M+HCOO]- 483.27283 220.0
[M+CH3COO]- 497.28848 227.2
[M+Na-2H]- 459.24930 196.2
[M]+ 438.27408 208.6
[M]- 438.27518 208.6
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.