CID 146681070

[(3s,4r)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate

Structural Information

Molecular Formula
C13H23O7P
SMILES
CC(C)CCCCC(=O)[C@H]1[C@@H](COC1=O)COP(=O)(O)O
InChI
InChI=1S/C13H23O7P/c1-9(2)5-3-4-6-11(14)12-10(7-19-13(12)15)8-20-21(16,17)18/h9-10,12H,3-8H2,1-2H3,(H2,16,17,18)/t10-,12+/m0/s1
InChIKey
SVSJADIUUOOBST-CMPLNLGQSA-N
Compound name
[(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.11813 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12541 174.6
[M+Na]+ 345.10735 178.3
[M-H]- 321.11085 174.0
[M+NH4]+ 340.15195 188.1
[M+K]+ 361.08129 178.7
[M+H-H2O]+ 305.11539 167.3
[M+HCOO]- 367.11633 195.1
[M+CH3COO]- 381.13198 202.7
[M+Na-2H]- 343.09280 171.6
[M]+ 322.11758 178.8
[M]- 322.11868 178.8
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.