CID 52924973

Pe(o-18:0/12:0)

Structural Information

Molecular Formula
C35H72NO7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C35H72NO7P/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-30-40-32-34(33-42-44(38,39)41-31-29-36)43-35(37)28-26-24-22-20-12-10-8-6-4-2/h34H,3-33,36H2,1-2H3,(H,38,39)/t34-/m1/s1
InChIKey
DEEQSZILGNLMTF-UUWRZZSWSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

649.50464 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 650.51192 264.1
[M+Na]+ 672.49386 266.5
[M-H]- 648.49736 252.9
[M+NH4]+ 667.53846 265.6
[M+K]+ 688.46780 266.5
[M+H-H2O]+ 632.50190 253.6
[M+HCOO]- 694.50284 266.7
[M+CH3COO]- 708.51849 273.7
[M+Na-2H]- 670.47931 243.4
[M]+ 649.50409 259.7
[M]- 649.50519 259.7
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.