CID 15140209

4118-07-4

Structural Information

Molecular Formula
C5H8O3
SMILES
C[C@H]1C(=O)O[C@H](O1)C
InChI
InChI=1S/C5H8O3/c1-3-5(6)8-4(2)7-3/h3-4H,1-2H3/t3-,4-/m0/s1
InChIKey
HZEDJCAGLIJEAI-IMJSIDKUSA-N
Compound name
(2S,5S)-2,5-dimethyl-1,3-dioxolan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

116.04734 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.054616 118.0
[M+Na]+ 139.036558 127.2
[M-H]- 115.040064 123.4
[M+NH4]+ 134.081163 140.2
[M+K]+ 155.010498 129.5
[M+H-H2O]+ 99.044600 114.3
[M+HCOO]- 161.045541 140.7
[M+CH3COO]- 175.061191 167.6
[M+Na-2H]- 137.022006 125.0
[M]+ 116.04679142 119.9
[M]- 116.04788858 119.9
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

patents stripe