CID 52926333

Pg(13:0/12:0)

Structural Information

Molecular Formula
C31H61O10P
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C31H61O10P/c1-3-5-7-9-11-13-15-16-18-20-22-30(34)38-26-29(27-40-42(36,37)39-25-28(33)24-32)41-31(35)23-21-19-17-14-12-10-8-6-4-2/h28-29,32-33H,3-27H2,1-2H3,(H,36,37)/t28-,29+/m0/s1
InChIKey
GQCKFOJNZDSUDB-URLMMPGGSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-dodecanoyloxypropyl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

624.4002 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.40748 254.1
[M+Na]+ 647.38942 254.3
[M-H]- 623.39292 247.5
[M+NH4]+ 642.43402 258.7
[M+K]+ 663.36336 254.3
[M+H-H2O]+ 607.39746 244.7
[M+HCOO]- 669.39840 253.4
[M+CH3COO]- 683.41405 259.0
[M+Na-2H]- 645.37487 234.6
[M]+ 624.39965 252.2
[M]- 624.40075 252.2
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.