CID 52929666

Pa(p-16:0/17:2(9z,12z))

Structural Information

Molecular Formula
C36H67O7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCC
InChI
InChI=1S/C36H67O7P/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/h9,11,15,17,30,32,35H,3-8,10,12-14,16,18-29,31,33-34H2,1-2H3,(H2,38,39,40)/b11-9-,17-15-,32-30-/t35-/m1/s1
InChIKey
SDJPJXUYYJHYFI-REFKTWKYSA-N
Compound name
[(2R)-1-[(Z)-hexadec-1-enoxy]-3-phosphonooxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

642.46246 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 643.46974 257.1
[M+Na]+ 665.45168 259.3
[M-H]- 641.45518 245.9
[M+NH4]+ 660.49628 259.2
[M+K]+ 681.42562 259.7
[M+H-H2O]+ 625.45972 247.1
[M+HCOO]- 687.46066 262.9
[M+CH3COO]- 701.47631 265.6
[M+Na-2H]- 663.43713 237.5
[M]+ 642.46191 254.3
[M]- 642.46301 254.3
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.