CID 52924974

Pe(o-18:0/13:0)

Structural Information

Molecular Formula
C36H74NO7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C36H74NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-31-41-33-35(34-43-45(39,40)42-32-30-37)44-36(38)29-27-25-23-21-14-12-10-8-6-4-2/h35H,3-34,37H2,1-2H3,(H,39,40)/t35-/m1/s1
InChIKey
UNVVBZCYZBRZSQ-PGUFJCEWSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

663.52026 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.52754 267.5
[M+Na]+ 686.50948 269.6
[M-H]- 662.51298 255.9
[M+NH4]+ 681.55408 268.9
[M+K]+ 702.48342 270.1
[M+H-H2O]+ 646.51752 256.9
[M+HCOO]- 708.51846 269.6
[M+CH3COO]- 722.53411 276.5
[M+Na-2H]- 684.49493 246.4
[M]+ 663.51971 263.1
[M]- 663.52081 263.1
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.