CID 52927435

1-tetradecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-)

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
1
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 212.6
[M+Na]+ 479.23802 214.1
[M+NH4]+ 474.28262 216.3
[M+K]+ 495.21196 211.7
[M-H]- 455.24152 206.6
[M+Na-2H]- 477.22347 216.9
[M]+ 456.24825 211.0
[M]- 456.24935 211.0
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