CID 137323909

Mlpa(o-16:0)

Structural Information

Molecular Formula
C20H43O6P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC)O
InChI
InChI=1S/C20H43O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-18-20(21)19-26-27(22,23)24-2/h20-21H,3-19H2,1-2H3,(H,22,23)/t20-/m1/s1
InChIKey
IXJRAZBOBFNYIJ-HXUWFJFHSA-N
Compound name
[(2R)-3-hexadecoxy-2-hydroxypropyl] methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.27972 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.28700 206.2
[M+Na]+ 433.26894 209.0
[M-H]- 409.27244 195.8
[M+NH4]+ 428.31354 205.3
[M+K]+ 449.24288 204.2
[M+H-H2O]+ 393.27698 202.4
[M+HCOO]- 455.27792 217.5
[M+CH3COO]- 469.29357 223.0
[M+Na-2H]- 431.25439 191.6
[M]+ 410.27917 204.2
[M]- 410.28027 204.2
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.