CID 52929564

1,2-ditridecanoyl-sn-glycero-3-phosphate

Structural Information

Molecular Formula
C29H57O8P
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C29H57O8P/c1-3-5-7-9-11-13-15-17-19-21-23-28(30)35-25-27(26-36-38(32,33)34)37-29(31)24-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26H2,1-2H3,(H2,32,33,34)/t27-/m1/s1
InChIKey
RNRNFAWLVVDHKJ-HHHXNRCGSA-N
Compound name
[(2R)-3-phosphonooxy-2-tridecanoyloxypropyl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.3791 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.38638 240.7
[M+Na]+ 587.36832 242.9
[M-H]- 563.37182 232.7
[M+NH4]+ 582.41292 244.7
[M+K]+ 603.34226 241.7
[M+H-H2O]+ 547.37636 232.0
[M+HCOO]- 609.37730 245.1
[M+CH3COO]- 623.39295 251.2
[M+Na-2H]- 585.35377 223.2
[M]+ 564.37855 238.8
[M]- 564.37965 238.8
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.