CID 137323910

Mlpa(o-18:0)

Structural Information

Molecular Formula
C22H47O6P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC)O
InChI
InChI=1S/C22H47O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-20-22(23)21-28-29(24,25)26-2/h22-23H,3-21H2,1-2H3,(H,24,25)/t22-/m1/s1
InChIKey
FIBCZHAELLGUEG-JOCHJYFZSA-N
Compound name
[(2R)-2-hydroxy-3-octadecoxypropyl] methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.31104 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.31832 213.7
[M+Na]+ 461.30026 216.0
[M-H]- 437.30376 202.5
[M+NH4]+ 456.34486 212.6
[M+K]+ 477.27420 212.1
[M+H-H2O]+ 421.30830 204.5
[M+HCOO]- 483.30924 224.1
[M+CH3COO]- 497.32489 228.9
[M+Na-2H]- 459.28571 198.1
[M]+ 438.31049 211.4
[M]- 438.31159 211.4
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.