CID 52927435

Pg(14:0/0:0)

Structural Information

Molecular Formula
C20H41O9P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O
InChI
InChI=1S/C20H41O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)27-15-19(23)17-29-30(25,26)28-16-18(22)14-21/h18-19,21-23H,2-17H2,1H3,(H,25,26)/t18-,19+/m0/s1
InChIKey
LUTDZDAPSDZVAL-RBUKOAKNSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

456.2488 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.25608 211.7
[M+Na]+ 479.23802 212.3
[M-H]- 455.24152 206.1
[M+NH4]+ 474.28262 211.7
[M+K]+ 495.21196 207.9
[M+H-H2O]+ 439.24606 201.8
[M+HCOO]- 501.24700 215.5
[M+CH3COO]- 515.26265 224.7
[M+Na-2H]- 477.22347 195.8
[M]+ 456.24825 207.7
[M]- 456.24935 207.7
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

patents stripe