CID 129320384

2-oxo-3-(phosphooxy)propyl 8-methyl-3-oxononanoate

Structural Information

Molecular Formula
C13H23O8P
SMILES
CC(C)CCCCC(=O)CC(=O)OCC(=O)COP(=O)(O)O
InChI
InChI=1S/C13H23O8P/c1-10(2)5-3-4-6-11(14)7-13(16)20-8-12(15)9-21-22(17,18)19/h10H,3-9H2,1-2H3,(H2,17,18,19)
InChIKey
WVUQZUGRTYRNNL-UHFFFAOYSA-N
Compound name
(2-oxo-3-phosphonooxypropyl) 8-methyl-3-oxononanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.11307 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12035 178.6
[M+Na]+ 361.10229 184.8
[M-H]- 337.10579 179.0
[M+NH4]+ 356.14689 185.2
[M+K]+ 377.07623 177.4
[M+H-H2O]+ 321.11033 169.5
[M+HCOO]- 383.11127 188.1
[M+CH3COO]- 397.12692 205.9
[M+Na-2H]- 359.08774 173.6
[M]+ 338.11252 177.6
[M]- 338.11362 177.6
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.