CID 52929640

Pa(o-16:0/19:0)

Structural Information

Molecular Formula
C38H77O7P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C38H77O7P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-38(39)45-37(36-44-46(40,41)42)35-43-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,40,41,42)/t37-/m1/s1
InChIKey
NLUAFMYCWYEMNU-DIPNUNPCSA-N
Compound name
[(2R)-1-hexadecoxy-3-phosphonooxypropan-2-yl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

676.5407 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.54798 270.5
[M+Na]+ 699.52992 270.5
[M-H]- 675.53342 256.0
[M+NH4]+ 694.57452 271.6
[M+K]+ 715.50386 273.1
[M+H-H2O]+ 659.53796 260.0
[M+HCOO]- 721.53890 273.0
[M+CH3COO]- 735.55455 274.9
[M+Na-2H]- 697.51537 248.5
[M]+ 676.54015 268.3
[M]- 676.54125 268.3
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.