CID 474822

[[(2r)-2-butoxy-3-octadecoxy-propoxy]-hydroxy-phosphoryl]formic acid

Structural Information

Molecular Formula
C26H53O7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(C(=O)O)O)OCCCC
InChI
InChI=1S/C26H53O7P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-23-25(32-22-6-4-2)24-33-34(29,30)26(27)28/h25H,3-24H2,1-2H3,(H,27,28)(H,29,30)/t25-/m1/s1
InChIKey
STLQCHFGBXHQIT-RUZDIDTESA-N
Compound name
[[(2R)-2-butoxy-3-octadecoxypropoxy]-hydroxyphosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

508.3529 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.36018 228.4
[M+Na]+ 531.34212 230.5
[M-H]- 507.34562 218.5
[M+NH4]+ 526.38672 229.8
[M+K]+ 547.31606 228.3
[M+H-H2O]+ 491.35016 219.4
[M+HCOO]- 553.35110 235.6
[M+CH3COO]- 567.36675 242.2
[M+Na-2H]- 529.32757 211.6
[M]+ 508.35235 226.2
[M]- 508.35345 226.2
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.