CID 52928659

1-tridecanoyl-2-dodecanoyl-glycero-3-phosphate

Structural Information

Molecular Formula
C28H55O8P
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C28H55O8P/c1-3-5-7-9-11-13-15-16-18-20-22-27(29)34-24-26(25-35-37(31,32)33)36-28(30)23-21-19-17-14-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H2,31,32,33)/t26-/m1/s1
InChIKey
AQEBZNMEACCIKE-AREMUKBSSA-N
Compound name
[(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.36346 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.37074 237.1
[M+Na]+ 573.35268 239.5
[M-H]- 549.35618 229.5
[M+NH4]+ 568.39728 241.2
[M+K]+ 589.32662 238.0
[M+H-H2O]+ 533.36072 228.6
[M+HCOO]- 595.36166 242.0
[M+CH3COO]- 609.37731 248.4
[M+Na-2H]- 571.33813 220.1
[M]+ 550.36291 235.2
[M]- 550.36401 235.2
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.