CID 86289245

1-dodecylglycerone 3-phosphate(2-)

Structural Information

Molecular Formula
C15H31O6P
SMILES
CCCCCCCCCCCCOCC(=O)COP(=O)(O)O
InChI
InChI=1S/C15H31O6P/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-15(16)14-21-22(17,18)19/h2-14H2,1H3,(H2,17,18,19)
InChIKey
IYNMOMWCMFNYJV-UHFFFAOYSA-N
Compound name
(3-dodecoxy-2-oxopropyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.18582 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.19310 187.4
[M+Na]+ 361.17504 189.9
[M-H]- 337.17854 182.1
[M+NH4]+ 356.21964 184.2
[M+K]+ 377.14898 188.1
[M+H-H2O]+ 321.18308 178.9
[M+HCOO]- 383.18402 198.7
[M+CH3COO]- 397.19967 207.5
[M+Na-2H]- 359.16049 185.4
[M]+ 338.18527 196.0
[M]- 338.18637 196.0
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.