CID 52927458

Pg(14:1(9z)/0:0)

Structural Information

Molecular Formula
C20H39O9P
SMILES
CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O
InChI
InChI=1S/C20H39O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)27-15-19(23)17-29-30(25,26)28-16-18(22)14-21/h5-6,18-19,21-23H,2-4,7-17H2,1H3,(H,25,26)/b6-5-/t18-,19+/m0/s1
InChIKey
JQYVZBJAEMGICC-ZYHOBAKYSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (Z)-tetradec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

454.2332 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.24048 209.3
[M+Na]+ 477.22242 210.5
[M-H]- 453.22592 204.5
[M+NH4]+ 472.26702 209.7
[M+K]+ 493.19636 205.7
[M+H-H2O]+ 437.23046 199.5
[M+HCOO]- 499.23140 214.0
[M+CH3COO]- 513.24705 223.3
[M+Na-2H]- 475.20787 194.0
[M]+ 454.23265 205.2
[M]- 454.23375 205.2
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

patents stripe