CID 52929566

Pa(o-16:0/13:0)

Structural Information

Molecular Formula
C32H65O7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C32H65O7P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-37-29-31(30-38-40(34,35)36)39-32(33)27-25-23-21-19-14-12-10-8-6-4-2/h31H,3-30H2,1-2H3,(H2,34,35,36)/t31-/m1/s1
InChIKey
VAPCDOPCGBLBLS-WJOKGBTCSA-N
Compound name
[(2R)-1-hexadecoxy-3-phosphonooxypropan-2-yl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

592.4468 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.45408 250.1
[M+Na]+ 615.43602 251.1
[M-H]- 591.43952 237.9
[M+NH4]+ 610.48062 251.3
[M+K]+ 631.40996 251.3
[M+H-H2O]+ 575.44406 240.3
[M+HCOO]- 637.44500 254.9
[M+CH3COO]- 651.46065 258.5
[M+Na-2H]- 613.42147 230.6
[M]+ 592.44625 247.7
[M]- 592.44735 247.7
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.