CID 52928650

Pa(12:0/20:1(11z))

Structural Information

Molecular Formula
C35H67O8P
SMILES
CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C35H67O8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-35(37)43-33(32-42-44(38,39)40)31-41-34(36)29-27-25-23-21-12-10-8-6-4-2/h15-16,33H,3-14,17-32H2,1-2H3,(H2,38,39,40)/b16-15-/t33-/m1/s1
InChIKey
JVKSCBFMLARUOY-ILGKRYBBSA-N
Compound name
[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] (Z)-icos-11-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

646.45734 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.46462 259.2
[M+Na]+ 669.44656 261.0
[M-H]- 645.45006 249.8
[M+NH4]+ 664.49116 263.4
[M+K]+ 685.42050 261.9
[M+H-H2O]+ 629.45460 250.0
[M+HCOO]- 691.45554 262.1
[M+CH3COO]- 705.47119 266.5
[M+Na-2H]- 667.43201 239.7
[M]+ 646.45679 257.3
[M]- 646.45789 257.3
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.