CID 474818

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

Structural Information

Molecular Formula
C22H45O7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(C(=O)O)O)O
InChI
InChI=1S/C22H45O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-19-21(23)20-29-30(26,27)22(24)25/h21,23H,2-20H2,1H3,(H,24,25)(H,26,27)/t21-/m1/s1
InChIKey
GAFZNPFBBZXJCW-OAQYLSRUSA-N
Compound name
[hydroxy-[(2R)-2-hydroxy-3-octadecoxypropoxy]phosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

10
Patents

452.29028 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.29756 212.6
[M+Na]+ 475.27950 214.4
[M-H]- 451.28300 203.8
[M+NH4]+ 470.32410 211.8
[M+K]+ 491.25344 210.6
[M+H-H2O]+ 435.28754 202.9
[M+HCOO]- 497.28848 219.7
[M+CH3COO]- 511.30413 228.4
[M+Na-2H]- 473.26495 196.9
[M]+ 452.28973 209.3
[M]- 452.29083 209.3
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

patents stripe