CID 10532409

Pa(o-18:0/16:0)

Structural Information

Molecular Formula
C37H75O7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C37H75O7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-42-34-36(35-43-45(39,40)41)44-37(38)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h36H,3-35H2,1-2H3,(H2,39,40,41)/t36-/m1/s1
InChIKey
OHMWCXDRHYCCRS-PSXMRANNSA-N
Compound name
[(2R)-1-octadecoxy-3-phosphonooxypropan-2-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

662.525 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.53228 267.1
[M+Na]+ 685.51422 267.3
[M-H]- 661.51772 253.0
[M+NH4]+ 680.55882 268.2
[M+K]+ 701.48816 269.6
[M+H-H2O]+ 645.52226 256.8
[M+HCOO]- 707.52320 270.0
[M+CH3COO]- 721.53885 272.2
[M+Na-2H]- 683.49967 245.5
[M]+ 662.52445 264.9
[M]- 662.52555 264.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.