CID 138453940

Chebi:143876

Structural Information

Molecular Formula
C11H21O6P
SMILES
CCCCCCCC(=O)OC[C@@H]1COP(=O)(O1)O
InChI
InChI=1S/C11H21O6P/c1-2-3-4-5-6-7-11(12)15-8-10-9-16-18(13,14)17-10/h10H,2-9H2,1H3,(H,13,14)/t10-/m1/s1
InChIKey
JNXSWFMVPGGUBM-SNVBAGLBSA-N
Compound name
[(4R)-2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl]methyl octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.10757 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11485 164.9
[M+Na]+ 303.09679 170.0
[M-H]- 279.10029 166.3
[M+NH4]+ 298.14139 181.6
[M+K]+ 319.07073 171.5
[M+H-H2O]+ 263.10483 158.0
[M+HCOO]- 325.10577 188.8
[M+CH3COO]- 339.12142 194.3
[M+Na-2H]- 301.08224 165.7
[M]+ 280.10702 171.2
[M]- 280.10812 171.2
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.