CID 52925041

Pe(p-16:0/13:0)

Structural Information

Molecular Formula
C34H68NO7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C34H68NO7P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-29-39-31-33(32-41-43(37,38)40-30-28-35)42-34(36)27-25-23-21-19-14-12-10-8-6-4-2/h26,29,33H,3-25,27-28,30-32,35H2,1-2H3,(H,37,38)/b29-26-/t33-/m1/s1
InChIKey
COFIRUCLLZJTFG-RAQPATMFSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

633.4733 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.48058 258.4
[M+Na]+ 656.46252 261.6
[M-H]- 632.46602 248.5
[M+NH4]+ 651.50712 260.2
[M+K]+ 672.43646 260.7
[M+H-H2O]+ 616.47056 248.1
[M+HCOO]- 678.47150 262.2
[M+CH3COO]- 692.48715 269.7
[M+Na-2H]- 654.44797 238.7
[M]+ 633.47275 253.8
[M]- 633.47385 253.8
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.