CID 474823

[hydroxy-[(2s)-3-octadecoxy-2-octoxy-propoxy]phosphoryl]formic acid

Structural Information

Molecular Formula
C30H61O7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(C(=O)O)O)OCCCCCCCC
InChI
InChI=1S/C30H61O7P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-35-27-29(28-37-38(33,34)30(31)32)36-26-24-22-10-8-6-4-2/h29H,3-28H2,1-2H3,(H,31,32)(H,33,34)/t29-/m0/s1
InChIKey
ADYWSJNKBSAOTC-LJAQVGFWSA-N
Compound name
[hydroxy-[(2S)-3-octadecoxy-2-octoxypropoxy]phosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

564.41547 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.42275 242.6
[M+Na]+ 587.40469 244.0
[M-H]- 563.40819 231.1
[M+NH4]+ 582.44929 243.9
[M+K]+ 603.37863 243.4
[M+H-H2O]+ 547.41273 233.1
[M+HCOO]- 609.41367 248.2
[M+CH3COO]- 623.42932 253.5
[M+Na-2H]- 585.39014 224.0
[M]+ 564.41492 240.4
[M]- 564.41602 240.4
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.