CID 138453942

Chebi:143882

Structural Information

Molecular Formula
C17H33O6P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@@H]1COP(=O)(O1)O
InChI
InChI=1S/C17H33O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(18)21-14-16-15-22-24(19,20)23-16/h16H,2-15H2,1H3,(H,19,20)/t16-/m1/s1
InChIKey
MSZPBSMTOOJTEX-MRXNPFEDSA-N
Compound name
[(4R)-2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl]methyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

364.20148 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.20876 193.1
[M+Na]+ 387.19070 195.6
[M-H]- 363.19420 193.4
[M+NH4]+ 382.23530 206.4
[M+K]+ 403.16464 195.8
[M+H-H2O]+ 347.19874 185.2
[M+HCOO]- 409.19968 215.0
[M+CH3COO]- 423.21533 212.2
[M+Na-2H]- 385.17615 190.8
[M]+ 364.20093 201.6
[M]- 364.20203 201.6
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.