CID 86289249

1-pentadecylglycerone 3-phosphate

Structural Information

Molecular Formula
C18H37O6P
SMILES
CCCCCCCCCCCCCCCOCC(=O)COP(=O)(O)O
InChI
InChI=1S/C18H37O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-16-18(19)17-24-25(20,21)22/h2-17H2,1H3,(H2,20,21,22)
InChIKey
VWGZQKUCQYRXLX-UHFFFAOYSA-N
Compound name
(2-oxo-3-pentadecoxypropyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

380.2328 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.24008 201.1
[M+Na]+ 403.22202 199.7
[M-H]- 379.22552 187.1
[M+NH4]+ 398.26662 195.4
[M+K]+ 419.19596 199.8
[M+H-H2O]+ 363.23006 192.0
[M+HCOO]- 425.23100 208.8
[M+CH3COO]- 439.24665 216.3
[M+Na-2H]- 401.20747 197.6
[M]+ 380.23225 194.0
[M]- 380.23335 194.0
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.