CID 131823326

Pg(i-14:0/i-12:0)

Structural Information

Molecular Formula
C32H63O10P
SMILES
CC(C)CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC(C)C
InChI
InChI=1S/C32H63O10P/c1-27(2)19-15-11-7-5-6-8-13-17-21-31(35)39-25-30(26-41-43(37,38)40-24-29(34)23-33)42-32(36)22-18-14-10-9-12-16-20-28(3)4/h27-30,33-34H,5-26H2,1-4H3,(H,37,38)/t29-,30+/m0/s1
InChIKey
PHPATQNZUMTMHQ-XZWHSSHBSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(10-methylundecanoyloxy)propyl] 12-methyltridecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

638.4159 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.42318 256.9
[M+Na]+ 661.40512 257.1
[M+NH4]+ 656.44972 263.8
[M+K]+ 677.37906 257.6
[M-H]- 637.40862 251.4
[M+Na-2H]- 659.39057 258.5
[M]+ 638.41535 256.1
[M]- 638.41645 256.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.