CID 52929645

Pa(o-16:0/17:0)

Structural Information

Molecular Formula
C36H73O7P
SMILES
CCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C36H73O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(37)43-35(34-42-44(38,39)40)33-41-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34H2,1-2H3,(H2,38,39,40)/t35-/m1/s1
InChIKey
JFKLPUOPECOEDO-PGUFJCEWSA-N
Compound name
[(2R)-1-hexadecoxy-3-phosphonooxypropan-2-yl] heptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

648.5094 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.51668 263.8
[M+Na]+ 671.49862 264.1
[M-H]- 647.50212 250.0
[M+NH4]+ 666.54322 264.9
[M+K]+ 687.47256 265.9
[M+H-H2O]+ 631.50666 253.5
[M+HCOO]- 693.50760 267.0
[M+CH3COO]- 707.52325 269.5
[M+Na-2H]- 669.48407 242.6
[M]+ 648.50885 261.5
[M]- 648.50995 261.5
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.