CID 131823279

Pg(a-13:0/i-16:0)

Structural Information

Molecular Formula
C35H69O10P
SMILES
CCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCC(C)C
InChI
InChI=1S/C35H69O10P/c1-5-31(4)23-19-15-12-13-16-20-24-34(38)42-28-33(29-44-46(40,41)43-27-32(37)26-36)45-35(39)25-21-17-11-9-7-6-8-10-14-18-22-30(2)3/h30-33,36-37H,5-29H2,1-4H3,(H,40,41)/t31?,32-,33+/m0/s1
InChIKey
WVHZSAJVYKEYON-ADIDXWPESA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 14-methylpentadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

680.4628 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 681.47008 267.1
[M+Na]+ 703.45202 267.0
[M+NH4]+ 698.49662 273.9
[M+K]+ 719.42596 268.1
[M-H]- 679.45552 260.6
[M+Na-2H]- 701.43747 267.7
[M]+ 680.46225 266.1
[M]- 680.46335 266.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.