CID 10754927

Dtxsid001024801

Structural Information

Molecular Formula
C16H20O4
SMILES
C[C@H]1[C@@H]([C@H](C(=O)O1)CC2=CC=CC=C2)OC(=O)C(C)C
InChI
InChI=1S/C16H20O4/c1-10(2)15(17)20-14-11(3)19-16(18)13(14)9-12-7-5-4-6-8-12/h4-8,10-11,13-14H,9H2,1-3H3/t11-,13+,14-/m0/s1
InChIKey
YUJNBEBWSKQCOY-YUTCNCBUSA-N
Compound name
[(2S,3R,4R)-4-benzyl-2-methyl-5-oxooxolan-3-yl] 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

276.13617 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14345 163.7
[M+Na]+ 299.12539 170.1
[M-H]- 275.12889 171.1
[M+NH4]+ 294.16999 180.4
[M+K]+ 315.09933 169.3
[M+H-H2O]+ 259.13343 157.5
[M+HCOO]- 321.13437 183.7
[M+CH3COO]- 335.15002 199.8
[M+Na-2H]- 297.11084 163.0
[M]+ 276.13562 166.3
[M]- 276.13672 166.3
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.