CID 52925142

Pe(22:1(11z)/0:0)

Structural Information

Molecular Formula
C27H54NO7P
SMILES
CCCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C27H54NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h11-12,26,29H,2-10,13-25,28H2,1H3,(H,31,32)/b12-11-/t26-/m1/s1
InChIKey
YIRCYBYHGSZKPX-XCMWCYMESA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-docos-11-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.3638 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.37108 232.5
[M+Na]+ 558.35302 235.9
[M-H]- 534.35652 224.9
[M+NH4]+ 553.39762 232.2
[M+K]+ 574.32696 232.2
[M+H-H2O]+ 518.36106 221.8
[M+HCOO]- 580.36200 237.4
[M+CH3COO]- 594.37765 247.8
[M+Na-2H]- 556.33847 215.1
[M]+ 535.36325 226.6
[M]- 535.36435 226.6
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.