CID 131801239

Chebi:139157

Structural Information

Molecular Formula
C24H47O9P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C24H47O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)33-23(19-26)21-32-34(29,30)31-20-22(27)18-25/h9-10,22-23,25-27H,2-8,11-21H2,1H3,(H,29,30)/b10-9-/t22-,23-/m0/s1
InChIKey
UJUVFUFXJONDDC-RXWKEIDKSA-N
Compound name
[(2S)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.29578 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.303056 223.7
[M+Na]+ 533.284998 224.2
[M-H]- 509.288504 217.4
[M+NH4]+ 528.329603 223.9
[M+K]+ 549.258938 221.0
[M+H-H2O]+ 493.293040 213.4
[M+HCOO]- 555.293981 226.7
[M+CH3COO]- 569.309631 234.7
[M+Na-2H]- 531.270446 206.5
[M]+ 510.29523142 219.5
[M]- 510.29632858 219.5
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.