CID 52924091

Pe(13:0/16:0)

Structural Information

Molecular Formula
C34H68NO8P
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C34H68NO8P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-34(37)43-32(31-42-44(38,39)41-29-28-35)30-40-33(36)26-24-22-20-18-14-12-10-8-6-4-2/h32H,3-31,35H2,1-2H3,(H,38,39)/t32-/m1/s1
InChIKey
WNFMZXBGSIMPIS-JGCGQSQUSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tridecanoyloxypropan-2-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

649.46826 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 650.47554 261.1
[M+Na]+ 672.45748 264.3
[M-H]- 648.46098 253.4
[M+NH4]+ 667.50208 265.3
[M+K]+ 688.43142 263.9
[M+H-H2O]+ 632.46552 251.6
[M+HCOO]- 694.46646 262.5
[M+CH3COO]- 708.48211 272.1
[M+Na-2H]- 670.44293 241.6
[M]+ 649.46771 257.3
[M]- 649.46881 257.3
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.