CID 52924959

Pe(o-16:0/14:1(9z))

Structural Information

Molecular Formula
C35H70NO7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C35H70NO7P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-30-40-32-34(33-42-44(38,39)41-31-29-36)43-35(37)28-26-24-22-20-18-14-12-10-8-6-4-2/h10,12,34H,3-9,11,13-33,36H2,1-2H3,(H,38,39)/b12-10-/t34-/m1/s1
InChIKey
XHWWHASLXNUJAT-PEDHGXIFSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecoxypropan-2-yl] (Z)-tetradec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

647.489 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 648.49628 261.8
[M+Na]+ 670.47822 264.8
[M-H]- 646.48172 251.4
[M+NH4]+ 665.52282 263.5
[M+K]+ 686.45216 264.3
[M+H-H2O]+ 630.48626 251.4
[M+HCOO]- 692.48720 265.2
[M+CH3COO]- 706.50285 272.5
[M+Na-2H]- 668.46367 241.6
[M]+ 647.48845 257.2
[M]- 647.48955 257.2
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.