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]+ 277.143446 163.7
[M+Na]+ 299.125388 170.1
[M-H]- 275.128894 171.1
[M+NH4]+ 294.169993 180.4
[M+K]+ 315.099328 169.3
[M+H-H2O]+ 259.133430 157.5
[M+HCOO]- 321.134371 183.7
[M+CH3COO]- 335.150021 199.8
[M+Na-2H]- 297.110836 163.0
[M]+ 276.13562142 166.3
[M]- 276.13671858 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.