CID 489584

Dimethoxy-odg-pfa

Structural Information

Molecular Formula
C24H49O8P
SMILES
CCCCCCCCCCCCCCCCCCOCC(COP(=O)(C(=O)O)O)(OC)OC
InChI
InChI=1S/C24H49O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-21-24(29-2,30-3)22-32-33(27,28)23(25)26/h4-22H2,1-3H3,(H,25,26)(H,27,28)
InChIKey
KNRYBGMLDNVLJG-UHFFFAOYSA-N
Compound name
[(2,2-dimethoxy-3-octadecoxypropoxy)-hydroxyphosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

496.3165 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.32378 220.0
[M+Na]+ 519.30572 221.2
[M-H]- 495.30922 212.6
[M+NH4]+ 514.35032 222.1
[M+K]+ 535.27966 219.0
[M+H-H2O]+ 479.31376 209.1
[M+HCOO]- 541.31470 231.3
[M+CH3COO]- 555.33035 238.2
[M+Na-2H]- 517.29117 203.7
[M]+ 496.31595 219.8
[M]- 496.31705 219.8
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.