CID 52924542

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

Structural Information

Molecular Formula
C37H72NO8P
SMILES
CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-21-12-10-8-6-4-2/h15-16,35H,3-14,17-34,38H2,1-2H3,(H,41,42)/b16-15-/t35-/m1/s1
InChIKey
NDOQSKDDPLVGGQ-PBYDCGJFSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-dodecanoyloxypropyl] (Z)-icos-11-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

689.4996 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 690.50688 268.9
[M+Na]+ 712.48882 272.2
[M-H]- 688.49232 260.9
[M+NH4]+ 707.53342 273.4
[M+K]+ 728.46276 272.6
[M+H-H2O]+ 672.49686 259.1
[M+HCOO]- 734.49780 270.0
[M+CH3COO]- 748.51345 279.0
[M+Na-2H]- 710.47427 248.7
[M]+ 689.49905 265.1
[M]- 689.50015 265.1
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.