CID 52929715

Pa(p-20:0/15:0)

Structural Information

Molecular Formula
C38H75O7P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C38H75O7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-43-35-37(36-44-46(40,41)42)45-38(39)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h32,34,37H,3-31,33,35-36H2,1-2H3,(H2,40,41,42)/b34-32-/t37-/m1/s1
InChIKey
LSBIGYDEQHHENN-KEKAMVOHSA-N
Compound name
[(2R)-1-[(Z)-icos-1-enoxy]-3-phosphonooxypropan-2-yl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

674.525 Da
Monoisotopic Mass

15.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.53228 268.1
[M+Na]+ 697.51422 268.7
[M-H]- 673.51772 254.5
[M+NH4]+ 692.55882 269.6
[M+K]+ 713.48816 271.0
[M+H-H2O]+ 657.52226 257.8
[M+HCOO]- 719.52320 271.5
[M+CH3COO]- 733.53885 273.7
[M+Na-2H]- 695.49967 246.7
[M]+ 674.52445 265.8
[M]- 674.52555 265.8
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.